300531 <common-name>3-[(1-anilino-3-hydroxy-1-oxobut-2-en-2-yl)diazenyl]-5-chloro-2-hydroxybenzenesulfonic acid</common-name> <description>3-[(1-anilino-3-hydroxy-1-oxobut-2-en-2-yl)diazenyl]-5-chloro-2-hydroxybenzenesulfonic acid is a chemical compound with the formula C16H14ClN3O6S. It has an average molecular weight of 411.80 g/mol.</description> <cas nil="true"/> <pubchem-id>165362644</pubchem-id> <chemical-formula>C16H14ClN3O6S</chemical-formula> <weight>411.8</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">2026-08-28T17:24:25Z</created-at> <updated-at type="dateTime">2026-08-28T17:24:25Z</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>CC(=C(C(=O)NC1=CC=CC=C1)N=NC2=C(C(=CC(=C2)Cl)S(=O)(=O)O)O)O</moldb-smiles> <moldb-formula>C16H14ClN3O6S</moldb-formula> <moldb-inchi>InChI=1S/C16H14ClN3O6S/c1-9(21)14(16(23)18-11-5-3-2-4-6-11)20-19-12-7-10(17)8-13(15(12)22)27(24,25)26/h2-8,21-22H,1H3,(H,18,23)(H,24,25,26)</moldb-inchi> <moldb-inchikey>MFEKEGYHFDHBTC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">411.029184</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.5</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>CHEM296424</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>3-[(1-anilino-3-hydroxy-1-oxobut-2-en-2-yl)diazenyl]-5-chloro-2-hydroxybenzenesulfonic 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 nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0251800</sync-id> <structure-inchikey>MFEKEGYHFDHBTC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000000000000000000000000000000000000100200080000000000000000000000000000000020000000004800000000000000004000000000000004000000008400000008000000020000020000000000001000004000040200000000000010000000a00000000100000000000001000000000000000000400400000000040000400800100000000000080000000100100200000000000000002000000000000000000000000080000000000000000000000080000000000000800000000000004002000000000000000000010000000000000001200000000000000008000000000000040000000000500000000000000040000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAbAAAAHAAAAIABBgBgAAAAAQMGACgAAAAD BAYAKAAAAAMEBgAoAAAAAwQIACgAAAADAgcAaAAAAAMCAQZAKAAAAAMEBkBo AAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBwAo AAAAAwMHACgAAAADAwZAKAAAAAMEBkAoAAAAAwQGQCgAAAADBAZAaAAAAAMD AQZAKAAAAAMEBkBoAAAAAwMBEQAgAAAAARAAIAAAAAYIACgAAAADAggAKAAA AAMCCABgAAAAAQEIAGgAAAADAQEIAGgAAAADAQELAAEAAQIoAgIDIAMEKAID BSAFBiAGB2gMBwhoDAgJaAwJCmgMCgtoDAIMIAwNKAINDiAOD2gMDxBoDBAR aAwREmgMEhNoDBIUABAVABUWCAIVFwgCFRgADxkgARogCwZoDBMOaAxCAgAA AAYHCAkKCwYGDxAREhMOFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:10:33Z</structure-indexed-at> </compound>