300004 <common-name>6-amino-4-hydroxy-5-[(4-nitro-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid</common-name> <description>6-amino-4-hydroxy-5-[(4-nitro-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid belongs to the naphthalene sulfonic acids and derivatives, a subclass of naphthalenes within the organic compounds. It is a benzenoid with the chemical formula C16H12N4O9S2 and an average molecular weight of 468.40 g/mol.</description> <cas>106579-09-3</cas> <pubchem-id>4352767</pubchem-id> <chemical-formula>C16H12N4O9S2</chemical-formula> <weight>468.4</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">2026-08-28T16:44:39Z</created-at> <updated-at type="dateTime">2026-08-28T16:44:39Z</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>C1=CC(=C(C2=C(C=C(C=C21)S(=O)(=O)O)O)N=NC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)O)N</moldb-smiles> <moldb-formula>C16H12N4O9S2</moldb-formula> <moldb-inchi>InChI=1S/C16H12N4O9S2/c17-11-3-1-8-5-10(30(24,25)26)7-13(21)15(8)16(11)19-18-12-4-2-9(20(22)23)6-14(12)31(27,28)29/h1-7,21H,17H2,(H,24,25,26)(H,27,28,29)</moldb-inchi> <moldb-inchikey>VCCBSXQXECFSJO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">468.0045703</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.2</logp> <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>CHEM295897</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>6-amino-4-hydroxy-5-[(4-nitro-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic 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" nil="true"/> <sync-id>CED0251285</sync-id> <structure-inchikey>VCCBSXQXECFSJO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000010002000100000000000006000000000000000081100000000000000000200000000001000000020000000000800002000000000000000000000000000000000000000000008000002020000020000000000000001004000000400000000000010000000a00000000100000000200001000000000000000000000000000000000000000000000000000000000001000001000000000000000000020100000000000000000000000080000000000000000004000088003000000008000000000000000002100000000000000400000000000000000000200000000000000420000000001000040000000000000000800001000008000000000000000</structure-fingerprint> 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