341614 <common-name>2-[[4-hydroxy-3-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenyl]methyl]naphthalene-1-sulfonic acid</common-name> <description>2-[[4-hydroxy-3-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenyl]methyl]naphthalene-1-sulfonic acid is a chemical compound with the formula C25H22O7S2. It has an average molecular weight of 498.60 g/mol.</description> <cas>68400-77-1</cas> <pubchem-id>6455922</pubchem-id> <chemical-formula>C25H22O7S2</chemical-formula> <weight>498.6</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">2026-08-31T02:11:18Z</created-at> <updated-at type="dateTime">2026-08-31T02:11:18Z</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)C2=C(C=CC(=C2C)CC3=C(C4=CC=CC=C4C=C3)S(=O)(=O)O)O)O</moldb-smiles> <moldb-formula>C25H22O7S2</moldb-formula> <moldb-inchi>InChI=1S/C25H22O7S2/c1-15-13-20(10-12-22(15)26)33(28,29)24-16(2)18(9-11-23(24)27)14-19-8-7-17-5-3-4-6-21(17)25(19)34(30,31)32/h3-13,26-27H,14H2,1-2H3,(H,30,31,32)</moldb-inchi> <moldb-inchikey>WLZGKIZVFKZIIZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">498.0806954</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.2</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>CHEM337507</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>2-[[4-hydroxy-3-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenyl]methyl]naphthalene-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>CED0292012</sync-id> <structure-inchikey>WLZGKIZVFKZIIZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000500000000000080000000000000001000000020000000000000000000000000000000000000000040000000000000000008000000020000020000000000000001000000000000000000000410000001000000000100400000000000000000000000000000000040000000040000001800080000000000000000000000100000000000000000000000080000000000004040000080100000000020000082000180000000000002000000000140000002900100000000000000000000000002000040200000000000000000000000001010040000000000000000000000040000000000000000020</structure-fingerprint> <structure-pattern-fingerprint>7114c2008533827085a01be181b8a2001a00140081072010a03d20c08a24485c6c220010139000080100490800c00000046102a4408d3621012e653980a04010c7118c80128036030090104012fa02000804c58055211f3740041662502243058c38452f004c9220400c0480dd9c004d30c680528101c1063188245003510a16184410084efc82080c060250c82c0288391d88124c421e8a5323082060c2448441d1109310b0d22002044968017c35154ac004028943084850904a904cc00212a00010a5a4980333198084a0571142914c010010036071000d7102802e0003009138cb341889012011080403519620820850243280c2040ed300900052000202</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���h���h���h���h���h���h���h���������������� �! ��h�� h���h���h�B�������������� �� ������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:41:30Z</structure-indexed-at> </compound>