347911 <common-name>4-[4-[[3-hydroxy-4-[[5-methyl-2-(2-methyl-4-sulfophenyl)-3-oxo-1h-pyrazol-4-yl]diazenyl]phenyl]diazenyl]-3-methyl-5-oxo-4h-pyrazol-1-yl]-3-methylbenzenesulfonic acid</common-name> <description>4-[4-[[3-hydroxy-4-[[5-methyl-2-(2-methyl-4-sulfophenyl)-3-oxo-1h-pyrazol-4-yl]diazenyl]phenyl]diazenyl]-3-methyl-5-oxo-4h-pyrazol-1-yl]-3-methylbenzenesulfonic acid has the chemical formula C28H26N8O9S2. With an average molecular weight of 682.70 g/mol, 4-[4-[[3-hydroxy-4-[[5-methyl-2-(2-methyl-4-sulfophenyl)-3-oxo-1h-pyrazol-4-yl]diazenyl]phenyl]diazenyl]-3-methyl-5-oxo-4h-pyrazol-1-yl]-3-methylbenzenesulfonic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>165361144</pubchem-id> <chemical-formula>C28H26N8O9S2</chemical-formula> <weight>682.7</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">2026-08-31T11:45:52Z</created-at> <updated-at type="dateTime">2026-08-31T11:45:52Z</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)N2C(=O)C(C(=N2)C)N=NC3=CC(=C(C=C3)N=NC4=C(NN(C4=O)C5=C(C=C(C=C5)S(=O)(=O)O)C)C)O</moldb-smiles> <moldb-formula>C28H26N8O9S2</moldb-formula> <moldb-inchi>InChI=1S/C28H26N8O9S2/c1-14-11-19(46(40,41)42)6-9-22(14)35-27(38)25(16(3)33-35)31-29-18-5-8-21(24(37)13-18)30-32-26-17(4)34-36(28(26)39)23-10-7-20(12-15(23)2)47(43,44)45/h5-13,25,34,37H,1-4H3,(H,40,41,42)(H,43,44,45)</moldb-inchi> <moldb-inchikey>GCMDHFUWORGOCI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">682.1264168</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.1</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>CHEM343804</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>4-[4-[[3-hydroxy-4-[[5-methyl-2-(2-methyl-4-sulfophenyl)-3-oxo-1h-pyrazol-4-yl]diazenyl]phenyl]diazenyl]-3-methyl-5-oxo-4h-pyrazol-1-yl]-3-methylbenzenesulfonic 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>CED0298247</sync-id> <structure-inchikey>GCMDHFUWORGOCI-UHFFFAOYSA-N</structure-inchikey> 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