potassium 4-octanoyloxybenzenesulfonate

Systemtic Name: potassium 4-octanoyloxybenzenesulfonate Openeye Name: potassium 4-octanoyloxybenzenesulfonate CAS Name: potassium 4-(1-oxooctoxy)benzenesulfonate IUPAC Name: potassium 4-octanoyloxybenzenesulfonate Traditional Name: potassium 4-caprylyloxybesylate Formula: C14H19KO5S MolecularWeight: 338.46096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=C(C=C1)S(=O)(=O)[O-].[K+]

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=C(C=C1)S(=O)(=O)[O-].[K+]

InChI

InChI=1S/C14H20O5S.K/c1-2-3-4-5-6-7-14(15)19-12-8-10-13(11-9-12)20(16,17)18;/h8-11H,2-7H2,1H3,(H,16,17,18);/q;+1/p-1