2-(phenylsulfonyl)cyclohexane-1-carboxylic acid

Systemtic Name: 2-(phenylsulfonyl)cyclohexane-1-carboxylic acid Openeye Name: 2-(benzenesulfonyl)cyclohexanecarboxylic acid CAS Name: 2-(benzenesulfonyl)-1-cyclohexanecarboxylic acid IUPAC Name: 2-(benzenesulfonyl)cyclohexane-1-carboxylic acid Traditional Name: 2-besylcyclohexanecarboxylic acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1CCC(C(C1)C(=O)O)S(=O)(=O)C2=CC=CC=C2

InChI

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