102756 <common-name>Sodium 4-[(1,5-dihydroxy-2-naphthyl)azo]naphthalene-1-sulphonate</common-name> <description>Sodium 4-[(1,5-dihydroxy-2-naphthyl)azo]naphthalene-1-sulphonate belongs to the naphthalene sulfonic acids and derivatives, a subclass of naphthalenes within the organic compounds. This benzenoid compound has the chemical formula C20H14N2O5S and an average molecular weight of 416.38 g/mol.</description> <cas nil="true"/> <pubchem-id>3023904</pubchem-id> <chemical-formula>C20H14N2O5S</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">2026-04-05T09:53:40Z</created-at> <updated-at type="dateTime">2026-04-05T09:53:40Z</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+].[O-]S(=O)(=O)C1=CC=C(NNC2=CC=C3C(=O)C=CC=C3C2=O)C2=CC=CC=C12</moldb-smiles> <moldb-formula>C20H14N2O5S</moldb-formula> <moldb-inchi>InChI=1/C20H14N2O5S.Na/c23-18-7-3-6-15-13(18)8-9-17(20(15)24)22-21-16-10-11-19(28(25,26)27)14-5-2-1-4-12(14)16;/h1-11,23-24H,(H,25,26,27);/q;+1/p-1</moldb-inchi> <moldb-inchikey>CIZAKYJKLFQMBS-UHFFFAOYSA-M</moldb-inchikey> <moldb-average-mass type="decimal">416.38</moldb-average-mass> <moldb-mono-mass type="decimal">394.0623425</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>CHEM098649</chemdb-id> <dsstox-id>DTXSID00916218</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00066275</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>Naphthalene sulfonic acids and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0118851</sync-id> <structure-inchikey>HGLHZFNECXYGIJ-UHFFFAOYSA-M</structure-inchikey> <structure-fingerprint>800000040020200000000000002000a00000000000000000000000000000000000000000020000000420000000010800000000000000000000000000000000000001000000000000000000100008020000000000000021000000010000000000000000000100000000200000000000000000000000000000000000000000000000002080000800000000000000080010002000180040080000040000000000000040000000000040000080000000000000000000000080000100000000000400000040000000000000000000000000000000000000000000200000000000000000000400000800040000000000000000000000000000000000000000000</structure-fingerprint> 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