321633 <common-name>3-[[2,4-dimethyl-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonic acid</common-name> <description>3-[[2,4-dimethyl-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonic acid is a chemical compound with the formula C20H20N2O10S3. With an average molecular weight of 544.60 g/mol, 3-[[2,4-dimethyl-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonic acid is a heavy molecule.</description> <cas>67828-18-6</cas> <pubchem-id>105707</pubchem-id> <chemical-formula>C20H20N2O10S3</chemical-formula> <weight>544.6</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">2026-08-29T21:13:25Z</created-at> <updated-at type="dateTime">2026-08-29T21:13:25Z</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>CC1=CC(=C(C=C1N=NC2=C(C3=CC=CC=C3C(=C2)S(=O)(=O)O)O)S(=O)(=O)CCOS(=O)(=O)O)C</moldb-smiles> <moldb-formula>C20H20N2O10S3</moldb-formula> <moldb-inchi>InChI=1S/C20H20N2O10S3/c1-12-9-13(2)18(33(24,25)8-7-32-35(29,30)31)10-16(12)21-22-17-11-19(34(26,27)28)14-5-3-4-6-15(14)20(17)23/h3-6,9-11,23H,7-8H2,1-2H3,(H,26,27,28)(H,29,30,31)</moldb-inchi> <moldb-inchikey>SWPLODLAJSGBPL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">544.0280084</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.2</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>CHEM317526</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-[[2,4-dimethyl-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-4-hydroxynaphthalene-1-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>Benzenoids</superklass> <klass>Naphthalenes</klass> <subklass>Naphthalene sulfonic acids and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0272351</sync-id> <structure-inchikey>SWPLODLAJSGBPL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>442000000040000000809000000000000000000080000000200000200000000000000000000000000000020000000000800000000000000000000040000800000000000000000000008000000020000020000000000100000004000000008000000000010000000800000000100000000000001000000000000000000000000000400040000000800000000000000400000200000100000000000000000002000000000000000000040008080100000000000000000000080001100000000000000000040000012000000004000000000000080000002000000200000000000000000000000000000040000000000000000000000000000000400000000000</structure-fingerprint> 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