99133 <common-name>Bis[4-[(3-carboxy-4-hydroxyphenyl)azo]-2-methoxynaphthalene-1-diazonium] sulphate</common-name> <description>Bis[4-[(3-carboxy-4-hydroxyphenyl)azo]-2-methoxynaphthalene-1-diazonium] sulphate belongs to the naphthalenes, a class of benzenoids within the organic compounds. With an average molecular weight of 794.71 g/mol, Bis[4-[(3-carboxy-4-hydroxyphenyl)azo]-2-methoxynaphthalene-1-diazonium] sulphate is a heavy molecule. Its chemical formula is C18H13N4O4.</description> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C18H13N4O4</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">2026-04-05T06:40:29Z</created-at> <updated-at type="dateTime">2026-04-05T06:40:29Z</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>[O-]S([O-])(=O)=O.COC1=CC(N=NC2=CC(C(O)=O)=C(O)C=C2)=C2C=CC=CC2=C1[N+]#N.COC1=CC(N=NC2=CC(C(O)=O)=C(O)C=C2)=C2C=CC=CC2=C1[N+]#N</moldb-smiles> <moldb-formula>C18H13N4O4</moldb-formula> <moldb-inchi>InChI=1/2C18H12N4O4.H2O4S/c2*1-26-16-9-14(11-4-2-3-5-12(11)17(16)20-19)22-21-10-6-7-15(23)13(8-10)18(24)25;1-5(2,3)4/h2*2-9H,1H3,(H-,22,23,24,25);(H2,1,2,3,4)</moldb-inchi> <moldb-inchikey>PBYLPYDNZFJAQH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">794.71</moldb-average-mass> <moldb-mono-mass type="decimal">349.0936799</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <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>CHEM095026</chemdb-id> <dsstox-id>DTXSID2071493</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00061869</susdat-id> <iupac nil="true"/> <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 nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0100407</sync-id> <structure-inchikey>PBYLPYDNZFJAQH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000040000000000000001000010000000000000600000000000400000000000000000000000020000000004000000000100000080000001000000000000000000000000000000000000000020000020000100041004000000000000000000010040000040040000100000000000001000000000000000000000000000010040000000a00000000000000000000000000100100000000000000000000000040000000000040000088000000002000000000000180001000000000080000000040000402100000000000002000080000000000000000200000000000000000000000002000040000000000400000000000020000110000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAA5AAAAPAAAAIABCCAiAAAA/wEQACAAAAAG CCAiAAAA/wEIACgAAAADAggAKAAAAAMCBgBgAAAAAQMIACgAAAADAgZAKAAA AAMEBkBoAAAAAwMBBkAoAAAAAwQHACgAAAADAwcAKAAAAAMDBkAoAAAAAwQG QGgAAAADAwEGQCgAAAADBAYAKAAAAAMECABoAAAAAwEBCAAoAAAAAwIGQCgA AAADBAgAaAAAAAMBAQZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAA AwMBBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGQCgAAAAD BAcgKgAAAAECBAcAKAAAAAIDBgBgAAAAAQMIACgAAAADAgZAKAAAAAMEBkBo AAAAAwMBBkAoAAAAAwQHACgAAAADAwcAKAAAAAMDBkAoAAAAAwQGQGgAAAAD AwEGQCgAAAADBAYAKAAAAAMECABoAAAAAwEBCAAoAAAAAwIGQCgAAAADBAgA aAAAAAMBAQZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBo AAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGQCgAAAADBAcgKgAA AAECBAcAKAAAAAIDCwABAAECAAEDCAIBBAgCBQYABgcgBwhoDAgJaAwJCiAK CygCCwwgDA1oDA0OaAwODyAPECAPESgCDhJoDBITIBIUaAwUFWgMCRZoDBYX aAwXGGgMGBloDBkaaAwaG2gMGxxoDBwdIB0eKAMfIAAgISAhImgMIiNoDCMk ICQlKAIlJiAmJ2gMJyhoDCgpICkqICkrKAIoLGgMLC0gLC5oDC4vaAwjMGgM MDFoDDEyaAwyM2gMMzRoDDQ1aAw1NmgMNjcgNzgoAxwHaAw2IWgMFQxoDBsW aAwvJmgMNTBoDEIGAAAABgccGxYJCAYNDhIUFQwGFxgZGhsWBiE2NTAjIgYn KCwuLyYGMTIzNDUwFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:38:35Z</structure-indexed-at> </compound>