potassium 4-butan-2-ylbenzenesulfonate

Systemtic Name: potassium 4-butan-2-ylbenzenesulfonate Openeye Name: potassium 4-sec-butylbenzenesulfonate CAS Name: potassium 4-butan-2-ylbenzenesulfonate IUPAC Name: potassium 4-butan-2-ylbenzenesulfonate Traditional Name: potassium 4-sec-butylbesylate Formula: C10H13KO3S MolecularWeight: 252.37172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14O3S.K/c1-3-8(2)9-4-6-10(7-5-9)14(11,12)13;/h4-8H,3H2,1-2H3,(H,11,12,13);/q;+1/p-1