<common-name>C.I. Direct Black 122</common-name> <description>C.I. Direct Black 122 belongs to the naphthalene sulfonic acids and derivatives, a subclass of naphthalenes within the organic compounds. It has the chemical formula C58H41N15O24S4. With an average molecular weight of 1,460 g/mol, C.I. Direct Black 122 is a heavy molecule. This compound is further classified within the superclass of benzenoids.</description> <cas>16894-32-9</cas> <pubchem-id>16131220</pubchem-id> <chemical-formula>C58H41N15O24S4</chemical-formula> <weight>1460.3</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-03T08:54:06Z</created-at> <updated-at type="dateTime">2026-08-22T19:38:39Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>COC1=C(C=CC(=C1)N=NC1=C(C=C2C(C=CC(N)=C2N=NC2=CC(C(O)=O)=C(O)C=C2)=C1O)S(O)(=O)=O)N=NC1=C(O)C2=C(N)C(N=NC3=C(C=C(C=C3)N=NC3=C(C=C4C(C=CC(N)=C4N=NC4=CC(C(O)=O)=C(O)C=C4)=C3O)S(O)(=O)=O)C(O)=O)=C(C=C2C=C1S(O)(=O)=O)S(O)(=O)=O</moldb-smiles> <moldb-formula>C58H41N15O24S4</moldb-formula> <moldb-inchi>InChI=1S/C58H41N15O24S4/c1-97-40-19-26(65-72-51-44(101(94,95)96)21-30-28(54(51)77)7-9-35(60)48(30)69-63-25-5-13-39(75)33(18-25)58(83)84)3-11-37(40)67-73-52-42(99(88,89)90)15-22-14-41(98(85,86)87)49(46(61)45(22)55(52)78)70-66-36-10-2-23(16-31(36)56(79)80)64-71-50-43(100(91,92)93)20-29-27(53(50)76)6-8-34(59)47(29)68-62-24-4-12-38(74)32(17-24)57(81)82/h2-21,74-78H,59-61H2,1H3,(H,79,80)(H,81,82)(H,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)/b68-62?,69-63+,70-66+,71-64+,72-65+,73-67+</moldb-inchi> <moldb-inchikey>SSYZQXVEUDAUOJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">1460.29</moldb-average-mass> <moldb-mono-mass type="decimal">1459.13317</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>7.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>17287930</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM063054</chemdb-id> <dsstox-id>DTXSID3066130</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00021034</susdat-id> <iupac>2-[[1-amino-7-[[4-[[6-amino-5-[(3-carboxy-4-hydroxyphenyl)diazenyl]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-2-methoxyphenyl]diazenyl]-8-hydroxy-3,6-disulfonaphthalen-2-yl]diazenyl]-5-[[6-amino-5-[(3-carboxy-4-hydroxyphenyl)diazenyl]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]benzoic acid</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Naphthalenes</klass> <subklass>Naphthalene sulfonic acids and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0113333</sync-id> <structure-inchikey>SSYZQXVEUDAUOJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000040000000000000002000000000080000000200000000000400000100000000000000000020000000004800002000000000080000000000000000000000000000000008000002020000020000020000100000004000000018000000000010000000840000000100000000200001200000400000800000000008000010040000000000000000000010000001000020000140000000000000020000000000000000800040000080000000000000000004000180001400000000080040000000000402100000000000a00402080000000000004000200000000000000000000000003000440000000000400400000000020008100000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾Þ��e��n��€��`��(��@(��@(��@h��@h��@(��@h��(��(��@(��@(��@h��@(��@(��@h��@h��@(��h��@(��(��(��@(��@h��@(��(��h��(��@(��h��@h��@h��@(��h�� `��(��(��(��(��@(��@(��h��@(��@(��h��@(��(��(��@(��@(��@h��@(��@h��@h��(��(��@(��@(��@h��@(��@(��@h��@h��@(��h��@(��(��(��@(��@h��@(��(��h��(��@(��h��@h��@h��@(��h�� `��(��(��(��h��(��@(��@h��@(��@h��@(�� `��(��(�� `��(��(�� h��h��h��h��h�� (� �h��h�� h� �h��h��h��h�� h�� (�� h��h�� (��h�� h��h�� h� ! �"�"#�"$��"%��& &'(�'( ()h�)* )+h�+,h�,- ,.h�./ /0(�01 12h�23h�34h�45h�56h�47 78(�89 9:h�:;h�;<h�<=h�=>h�>?h�?@h�@A @Bh�BC CD(�DE EFh�FGh�GH HI HJ(�GKh�KL KMh�MNh�=Oh�OP :Q�QR�QS��QT��2U UV UW(�.Xh�XYh�YZh�Z[h�[\h�\]�]^�]_��]`��Xa�ab�ac��ad��h� h�\(h�� h��h�Z+h�61h�O9h�B<h�NEh�B �� )+Z[\(�,.XYZ+�234561�:;<=O9�>?@B<=�FGKMNE��</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:17:31Z</structure-indexed-at> </compound>

67161 <common-name>C.I. Direct Black 122</common-name> <description>C.I. Direct Black 122 belongs to the naphthalene sulfonic acids and derivatives, a subclass of naphthalenes within the organic compounds. It has the chemical formula C58H41N15O24S4. With an average molecular weight of 1,460 g/mol, C.I. Direct Black 122 is a heavy molecule. This compound is further classified within the superclass of benzenoids.</description> <cas>16894-32-9</cas> <pubchem-id>16131220</pubchem-id> <chemical-formula>C58H41N15O24S4</chemical-formula> <weight>1460.3</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-03T08:54:06Z</created-at> <updated-at type="dateTime">2026-08-22T19:38:39Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>COC1=C(C=CC(=C1)N=NC1=C(C=C2C(C=CC(N)=C2N=NC2=CC(C(O)=O)=C(O)C=C2)=C1O)S(O)(=O)=O)N=NC1=C(O)C2=C(N)C(N=NC3=C(C=C(C=C3)N=NC3=C(C=C4C(C=CC(N)=C4N=NC4=CC(C(O)=O)=C(O)C=C4)=C3O)S(O)(=O)=O)C(O)=O)=C(C=C2C=C1S(O)(=O)=O)S(O)(=O)=O</moldb-smiles> <moldb-formula>C58H41N15O24S4</moldb-formula> <moldb-inchi>InChI=1S/C58H41N15O24S4/c1-97-40-19-26(65-72-51-44(101(94,95)96)21-30-28(54(51)77)7-9-35(60)48(30)69-63-25-5-13-39(75)33(18-25)58(83)84)3-11-37(40)67-73-52-42(99(88,89)90)15-22-14-41(98(85,86)87)49(46(61)45(22)55(52)78)70-66-36-10-2-23(16-31(36)56(79)80)64-71-50-43(100(91,92)93)20-29-27(53(50)76)6-8-34(59)47(29)68-62-24-4-12-38(74)32(17-24)57(81)82/h2-21,74-78H,59-61H2,1H3,(H,79,80)(H,81,82)(H,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)/b68-62?,69-63+,70-66+,71-64+,72-65+,73-67+</moldb-inchi> <moldb-inchikey>SSYZQXVEUDAUOJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">1460.29</moldb-average-mass> <moldb-mono-mass type="decimal">1459.13317</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>7.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>17287930</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM063054</chemdb-id> <dsstox-id>DTXSID3066130</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00021034</susdat-id> <iupac>2-[[1-amino-7-[[4-[[6-amino-5-[(3-carboxy-4-hydroxyphenyl)diazenyl]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-2-methoxyphenyl]diazenyl]-8-hydroxy-3,6-disulfonaphthalen-2-yl]diazenyl]-5-[[6-amino-5-[(3-carboxy-4-hydroxyphenyl)diazenyl]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]benzoic acid</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Naphthalenes</klass> <subklass>Naphthalene sulfonic acids and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0113333</sync-id> <structure-inchikey>SSYZQXVEUDAUOJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000040000000000000002000000000080000000200000000000400000100000000000000000020000000004800002000000000080000000000000000000000000000000008000002020000020000020000100000004000000018000000000010000000840000000100000000200001200000400000800000000008000010040000000000000000000010000001000020000140000000000000020000000000000000800040000080000000000000000004000180001400000000080040000000000402100000000000a00402080000000000004000200000000000000000000000003000440000000000400400000000020008100000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾Þ��e��n��€��`��(��@(��@(��@h��@h��@(��@h��(��(��@(��@(��@h��@(��@(��@h��@h��@(��h��@(��(��(��@(��@h��@(��(��h��(��@(��h��@h��@h��@(��h�� `��(��(��(��(��@(��@(��h��@(��@(��h��@(��(��(��@(��@(��@h��@(��@h��@h��(��(��@(��@(��@h��@(��@(��@h��@h��@(��h��@(��(��(��@(��@h��@(��(��h��(��@(��h��@h��@h��@(��h�� `��(��(��(��h��(��@(��@h��@(��@h��@(�� `��(��(�� `��(��(�� h��h��h��h��h�� (� �h��h�� h� �h��h��h��h�� h�� (�� h��h�� (��h�� h��h�� h� ! �"�"#�"$��"%��& &'(�'( ()h�)* )+h�+,h�,- ,.h�./ /0(�01 12h�23h�34h�45h�56h�47 78(�89 9:h�:;h�;<h�<=h�=>h�>?h�?@h�@A @Bh�BC CD(�DE EFh�FGh�GH HI HJ(�GKh�KL KMh�MNh�=Oh�OP :Q�QR�QS��QT��2U UV UW(�.Xh�XYh�YZh�Z[h�[\h�\]�]^�]_��]`��Xa�ab�ac��ad��h� h�\(h�� h��h�Z+h�61h�O9h�B<h�NEh�B �� )+Z[\(�,.XYZ+�234561�:;<=O9�>?@B<=�FGKMNE��</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:17:31Z</structure-indexed-at> </compound>