68782 <common-name>2H-Naphtho[1,2-d]triazole-5-sulfonic acid, 2-[4-[2-(4-nitro-2-sulfophenyl)ethenyl]-3-sulfophenyl]-</common-name> <description>2H-Naphtho[1,2-d]triazole-5-sulfonic acid, 2-[4-[2-(4-nitro-2-sulfophenyl)ethenyl]-3-sulfophenyl]- belongs to the sulfonated stilbenes, a subclass of stilbenes within the organic compounds. It is further classified under the superclass of phenylpropanoids and polyketides. With an average molecular weight of 632.59 g/mol, 2H-Naphtho[1,2-d]triazole-5-sulfonic acid, 2-[4-[2-(4-nitro-2-sulfophenyl)ethenyl]-3-sulfophenyl]- is a heavy molecule. Its formula is C24H16N4O11S3.</description> <cas>131-43-1</cas> <pubchem-id>67229</pubchem-id> <chemical-formula>C24H16N4O11S3</chemical-formula> <weight>632.6</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">2026-04-03T13:26:03Z</created-at> <updated-at type="dateTime">2026-08-30T20:47:05Z</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>OS(=O)(=O)C1=CC2=NN(N=C2C2=CC=CC=C12)C1=CC(=C(C=CC2=C(C=C(C=C2)[N+]([O-])=O)S(O)(=O)=O)C=C1)S(O)(=O)=O</moldb-smiles> <moldb-formula>C24H16N4O11S3</moldb-formula> <moldb-inchi>InChI=1S/C24H16N4O11S3/c29-28(30)17-10-8-15(22(12-17)41(34,35)36)6-5-14-7-9-16(11-21(14)40(31,32)33)27-25-20-13-23(42(37,38)39)18-3-1-2-4-19(18)24(20)26-27/h1-13H,(H,31,32,33)(H,34,35,36)(H,37,38,39)/b6-5+</moldb-inchi> <moldb-inchikey>ZUALTTRSCLAGBQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">632.59</moldb-average-mass> <moldb-mono-mass type="decimal">631.99777</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.9</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4940748</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>CHEM064675</chemdb-id> <dsstox-id>DTXSID0059617</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00024164</susdat-id> <iupac>2-[4-[2-(4-nitro-2-sulfophenyl)ethenyl]-3-sulfophenyl]benzo[e]benzotriazole-5-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>Phenylpropanoids and polyketides</superklass> <klass>Stilbenes</klass> <subklass>Sulfonated stilbenes</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0153737</sync-id> <structure-inchikey>ZUALTTRSCLAGBQ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000000000000000000000000004000000000000208000000000000020000002000800000000000000000000000000000000000000000000000008000000020000020000000000200001000000000408000002000010000001a00000000100000020000000100000040000000000000000400000000000000804000000000000800000000001100000000000000000820100000000000000000040000080000000000000000000000080000100000000000000000040000000000000000000000000000000000000800000200000000000000420040000000000040000000800800040800081000000000020000800000</structure-fingerprint> 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