1-(phenylsulfonyl)cyclohexane-1-carboxylic acid

Systemtic Name: 1-(phenylsulfonyl)cyclohexane-1-carboxylic acid Openeye Name: 1-(benzenesulfonyl)cyclohexanecarboxylic acid CAS Name: 1-(benzenesulfonyl)-1-cyclohexanecarboxylic acid IUPAC Name: 1-(benzenesulfonyl)cyclohexane-1-carboxylic acid Traditional Name: 1-besylcyclohexanecarboxylic acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H16O4S/c14-12(15)13(9-5-2-6-10-13)18(16,17)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,14,15)