320867 <common-name>2-[2-[5-[(2-methyl-4-sulfophenyl)hydrazinylidene]-4,6-dioxocyclohex-2-en-1-ylidene]hydrazinyl]benzoic acid</common-name> <description>2-[2-[5-[(2-methyl-4-sulfophenyl)hydrazinylidene]-4,6-dioxocyclohex-2-en-1-ylidene]hydrazinyl]benzoic acid is a chemical compound with the formula C20H16N4O7S. It has an average molecular weight of 456.40 g/mol.</description> <cas nil="true"/> <pubchem-id>132556006</pubchem-id> <chemical-formula>C20H16N4O7S</chemical-formula> <weight>456.4</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">2026-08-29T20:01:14Z</created-at> <updated-at type="dateTime">2026-08-29T20:01:14Z</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>CC1=C(C=CC(=C1)S(=O)(=O)O)NN=C2C(=O)C=CC(=NNC3=CC=CC=C3C(=O)O)C2=O</moldb-smiles> <moldb-formula>C20H16N4O7S</moldb-formula> <moldb-inchi>InChI=1S/C20H16N4O7S/c1-11-10-12(32(29,30)31)6-7-14(11)21-24-18-17(25)9-8-16(19(18)26)23-22-15-5-3-2-4-13(15)20(27)28/h2-10,21-22H,1H3,(H,27,28)(H,29,30,31)</moldb-inchi> <moldb-inchikey>MLIUHVSZIYDSJE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">456.07397</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.8</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>CHEM316760</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>2-[2-[5-[(2-methyl-4-sulfophenyl)hydrazinylidene]-4,6-dioxocyclohex-2-en-1-ylidene]hydrazinyl]benzoic 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>Benzene and substituted derivatives</klass> <subklass>Benzenesulfonic acids and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0271596</sync-id> <structure-inchikey>MLIUHVSZIYDSJE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8000000000000000000020000000000000000000000000000021000100020000400004000000000000000080000000000000000400000000000000008000000020000020000000000000001004000000000000000000010100100000000001100000000000000000000000000000000000000000010040080000800000000000000080000000000100000080000000000000000080000000000000000800080100000000000021000000088000000000008000000000000000000000000000000000000000008020002000200200000010010000000000000000800040000000200400000080000000000100000808000000</structure-fingerprint> 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