310716 <common-name>5-[(4-chloro-5-ethyl-2-sulfophenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid</common-name> <description>5-[(4-chloro-5-ethyl-2-sulfophenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid is a compound with the formula C18H15ClN2O7S2. It has an average molecular weight of 470.90 g/mol.</description> <cas nil="true"/> <pubchem-id>135565739</pubchem-id> <chemical-formula>C18H15ClN2O7S2</chemical-formula> <weight>470.9</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">2026-08-29T06:16:01Z</created-at> <updated-at type="dateTime">2026-08-29T06:16:01Z</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>CCC1=CC(=C(C=C1Cl)S(=O)(=O)O)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)O</moldb-smiles> <moldb-formula>C18H15ClN2O7S2</moldb-formula> <moldb-inchi>InChI=1S/C18H15ClN2O7S2/c1-2-10-8-15(17(9-14(10)19)30(26,27)28)20-21-18-13-5-4-12(29(23,24)25)7-11(13)3-6-16(18)22/h3-9,22H,2H2,1H3,(H,23,24,25)(H,26,27,28)</moldb-inchi> <moldb-inchikey>BTHAHRKSJDKOHV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">470.0009209</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>CHEM306609</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-chloro-5-ethyl-2-sulfophenyl)diazenyl]-6-hydroxynaphthalene-2-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>CED0261686</sync-id> <structure-inchikey>BTHAHRKSJDKOHV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000000100800000000000000000000000000080100000000000000000000002000001040000020002000000800000000000000000000000000000000000000000400000008000002020000020000000000000001004000000000000000000010000000800000000100000000000001000000004000000000000000000000048000000000000000000000008000000000000000000000000000000000000000000000004040000080000800000000000000000188001010000008000000000000000002100000000000000400010000000000004000200000000000100000000000801000040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ�������������������� ���€���`�������`������@(������@h�������@(������@(������@h�������@(������� ������ ������(�������(�������`�������(�������(������@(������@(������@h�������@h�������@(������@(������@h�������@h�������@(������@h�������� ������(�������(�������`�������h���������������h���h���h���h���h����� � �� ��� ��� �(��� ��h���h���h���h���h���h���h���h���h����������������� ��h���h���h�B�����������������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:18:03Z</structure-indexed-at> </compound>