98804 <common-name>Sodium 6-amino-4-hydroxy-5-[[2-(phenoxysulphonyl)phenyl]azo]naphthalene-2-sulphonate</common-name> <description>Sodium 6-amino-4-hydroxy-5-[[2-(phenoxysulphonyl)phenyl]azo]naphthalene-2-sulphonate belongs to the naphthalene sulfonic acids and derivatives, a subclass of naphthalenes within the organic compounds. It is categorized as a benzenoid with the chemical formula C22H17N3O7S2. With an average molecular weight of 521.49 g/mol, Sodium 6-amino-4-hydroxy-5-[[2-(phenoxysulphonyl)phenyl]azo]naphthalene-2-sulphonate is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>172477</pubchem-id> <chemical-formula>C22H17N3O7S2</chemical-formula> <weight>499.5</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">2026-04-05T06:22:57Z</created-at> <updated-at type="dateTime">2026-08-30T10:37:10Z</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+].NC1=C(N=NC2=CC=CC=C2S(=O)(=O)OC2=CC=CC=C2)C2=C(C=C1)C=C(C=C2O)S([O-])(=O)=O</moldb-smiles> <moldb-formula>C22H17N3O7S2</moldb-formula> <moldb-inchi>InChI=1/C22H17N3O7S2.Na/c23-17-11-10-14-12-16(33(27,28)29)13-19(26)21(14)22(17)25-24-18-8-4-5-9-20(18)34(30,31)32-15-6-2-1-3-7-15;/h1-13,26H,23H2,(H,27,28,29);/q;+1/p-1</moldb-inchi> <moldb-inchikey>DWJGKWGUTNRSPV-UHFFFAOYSA-M</moldb-inchikey> <moldb-average-mass type="decimal">521.49</moldb-average-mass> <moldb-mono-mass type="decimal">499.0507919</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.8</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>CHEM094697</chemdb-id> <dsstox-id>DTXSID40887534</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00061432</susdat-id> <iupac>6-amino-4-hydroxy-5-[(2-phenoxysulfonylphenyl)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">0</paper-count> <sync-id>CED0186960</sync-id> <structure-inchikey>DWJGKWGUTNRSPV-UHFFFAOYSA-M</structure-inchikey> 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