66821 <common-name>C.I. Acid Orange 51</common-name> <description>C.I. Acid Orange 51 belongs to the naphthalene sulfonic acids and derivatives, a subclass of naphthalenes within the organic compounds. It has the chemical formula C36H28N6O11S3. With an average molecular weight of 860.79 g/mol, C.I. Acid Orange 51 is a heavy molecule. It is further classified within the superclass of benzenoids.</description> <cas>73681-17-1</cas> <pubchem-id>82271</pubchem-id> <chemical-formula>C36H28N6O11S3</chemical-formula> <weight nil="true"/> <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">2026-04-03T07:29:50Z</created-at> <updated-at type="dateTime">2026-04-03T07:29:50Z</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>[Na+].[Na+].CC1=CC=C(C=C1)S(=O)(=O)OC1=C(C)C=C(C=C1)N=NC1=C2C=C(C=CC2=C(C=C1)N=NC1=CC=C(NC2=CC=C(C=C2S([O-])(=O)=O)[N+]([O-])=O)C=C1)S([O-])(=O)=O</moldb-smiles> <moldb-formula>C36H28N6O11S3</moldb-formula> <moldb-inchi>InChI=1S/C36H28N6O11S3/c1-22-3-11-28(12-4-22)56(51,52)53-35-18-9-26(19-23(35)2)39-41-33-17-16-32(30-14-13-29(21-31(30)33)54(45,46)47)40-38-25-7-5-24(6-8-25)37-34-15-10-27(42(43)44)20-36(34)55(48,49)50/h3-21,37H,1-2H3,(H,45,46,47)(H,48,49,50)/b40-38+,41-39?</moldb-inchi> <moldb-inchikey>HBINTOQGSKHKJI-UHFFFAOYSA-L</moldb-inchikey> <moldb-average-mass type="decimal">860.79</moldb-average-mass> <moldb-mono-mass type="decimal">816.097818</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>74245</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>CHEM062714</chemdb-id> <dsstox-id>DTXSID0064888</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00020235</susdat-id> <iupac>disodium;8-[[3-methyl-4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]-5-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]naphthalene-2-sulfonate</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">59</paper-count> <sync-id>CED0022254</sync-id> <structure-inchikey>HBINTOQGSKHKJI-UHFFFAOYSA-L</structure-inchikey> 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