66617 <common-name>3,6-Dibutylnaphthalene-1-sulfonic acid</common-name> <description>3,6-Dibutylnaphthalene-1-sulfonic acid belongs to the naphthalene sulfonic acids and derivatives, a subclass of naphthalenes within the organic compounds. This benzenoid compound has the formula C18H24O3S1 and an average molecular weight of 320.45 g/mol.</description> <cas>791769-10-3</cas> <pubchem-id>23662405</pubchem-id> <chemical-formula>C18H24O3S1</chemical-formula> <weight>342.4</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">2026-04-03T06:57:36Z</created-at> <updated-at type="dateTime">2026-08-20T01:03:54Z</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>CCCCC1=CC=C2C(C=C(CCCC)C=C2S(O)(=O)=O)=C1</moldb-smiles> <moldb-formula>C18H24O3S1</moldb-formula> <moldb-inchi>InChI=1S/C18H24O3S/c1-3-5-7-14-9-10-17-16(11-14)12-15(8-6-4-2)13-18(17)22(19,20)21/h9-13H,3-8H2,1-2H3,(H,19,20,21)</moldb-inchi> <moldb-inchikey>DLRGPYQGIHQZBY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">320.45</moldb-average-mass> <moldb-mono-mass type="decimal">320.144615</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>10619056</chemspider-id> <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>CHEM062510</chemdb-id> <dsstox-id>DTXSID20860340</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00019601</susdat-id> <iupac>3,6-Dibutylnaphthalene-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">0</paper-count> <sync-id>CED0098219</sync-id> <structure-inchikey>DLRGPYQGIHQZBY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000800000000000400000000000080000000000000000000002000200000000020000000000800000000000000000000000000000000000000000000000018000000020000020000000000000000000000000008000000020010000000800000000100000000000000000000000012000000000000000000040000000000000000000000000000000000000000000001000000000000000000000000000040008081000000100000000000000080000000000000000000000000000000000000000000000000000000000000004000220000000000000000000000001000040000000010000000000000000000000000000000000</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�B������������ ��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:17:08Z</structure-indexed-at> </compound>