300888 <common-name>5-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-hydroxybenzenesulfonic acid</common-name> <description>5-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-hydroxybenzenesulfonic acid belongs to the phenoxyacetic acid derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It has the chemical formula C16H15ClO7S and an average molecular weight of 386.80 g/mol. This compound is further classified as a member of the benzenoids superclass.</description> <cas nil="true"/> <pubchem-id>3042402</pubchem-id> <chemical-formula>C16H15ClO7S</chemical-formula> <weight>386.8</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">2026-08-28T17:50:34Z</created-at> <updated-at type="dateTime">2026-08-28T17:50:34Z</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>CC(C)(C(=O)OC1=CC(=C(C=C1)O)S(=O)(=O)O)OC2=CC=C(C=C2)Cl</moldb-smiles> <moldb-formula>C16H15ClO7S</moldb-formula> <moldb-inchi>InChI=1S/C16H15ClO7S/c1-16(2,24-11-5-3-10(17)4-6-11)15(19)23-12-7-8-13(18)14(9-12)25(20,21)22/h3-9,18H,1-2H3,(H,20,21,22)</moldb-inchi> <moldb-inchikey>KRRVDTQGJMLEBI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">386.0227017</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>CHEM296781</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-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-hydroxybenzenesulfonic 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>Phenoxyacetic acid derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0252142</sync-id> <structure-inchikey>KRRVDTQGJMLEBI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000000002000000000000000000000000080000000000000000000000004200000020000000000800000000000000000000000000000000000000810400000008000000020020020000000004100000200000000000020000000010080000800000000100000000000000000000000000000000000000000000040020000000000000000000000000000000001000000000000000000000000004000000000000000080000000000000000000000180000000000002000000000000000002100000000000000000010000000000040000200000000000000200000000000000040000000000400000000020000000000000000000000</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�B������� �������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:10:48Z</structure-indexed-at> </compound>