347631 <common-name>5-[[4-[4-[(5-carboxy-4-hydroxy-2-methylphenyl)diazenyl]-2-sulfophenyl]-3-sulfophenyl]diazenyl]-2-hydroxy-4-methylbenzoic acid</common-name> <description>5-[[4-[4-[(5-carboxy-4-hydroxy-2-methylphenyl)diazenyl]-2-sulfophenyl]-3-sulfophenyl]diazenyl]-2-hydroxy-4-methylbenzoic acid has the chemical formula C28H22N4O12S2. With an average molecular weight of 670.60 g/mol, 5-[[4-[4-[(5-carboxy-4-hydroxy-2-methylphenyl)diazenyl]-2-sulfophenyl]-3-sulfophenyl]diazenyl]-2-hydroxy-4-methylbenzoic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>136171135</pubchem-id> <chemical-formula>C28H22N4O12S2</chemical-formula> <weight>670.6</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">2026-08-31T11:25:17Z</created-at> <updated-at type="dateTime">2026-08-31T11:25:17Z</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=CC(=C(C=C1N=NC2=CC(=C(C=C2)C3=C(C=C(C=C3)N=NC4=CC(=C(C=C4C)O)C(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)O)O</moldb-smiles> <moldb-formula>C28H22N4O12S2</moldb-formula> <moldb-inchi>InChI=1S/C28H22N4O12S2/c1-13-7-23(33)19(27(35)36)11-21(13)31-29-15-3-5-17(25(9-15)45(39,40)41)18-6-4-16(10-26(18)46(42,43)44)30-32-22-12-20(28(37)38)24(34)8-14(22)2/h3-12,33-34H,1-2H3,(H,35,36)(H,37,38)(H,39,40,41)(H,42,43,44)</moldb-inchi> <moldb-inchikey>MRPJYAAMXAUHKB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">670.0675645</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.8</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>CHEM343524</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>5-[[4-[4-[(5-carboxy-4-hydroxy-2-methylphenyl)diazenyl]-2-sulfophenyl]-3-sulfophenyl]diazenyl]-2-hydroxy-4-methylbenzoic 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>Biphenyls and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0297970</sync-id> <structure-inchikey>MRPJYAAMXAUHKB-UHFFFAOYSA-N</structure-inchikey> 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