2-(phenylmethylsulfanyl)cyclohexene-1-carboxylic acid

Systemtic Name: 2-(phenylmethylsulfanyl)cyclohexene-1-carboxylic acid Openeye Name: 2-benzylsulfanylcyclohexene-1-carboxylic acid CAS Name: 2-(phenylmethylthio)-1-cyclohexenecarboxylic acid IUPAC Name: 2-benzylsulfanylcyclohexene-1-carboxylic acid Traditional Name: 2-(benzylthio)cyclohexene-1-carboxylic acid Formula: C14H16O2S MolecularWeight: 248.34064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C1)C(=O)O)SCC2=CC=CC=C2

Isomeric SMILES

C1CCC(=C(C1)C(=O)O)SCC2=CC=CC=C2

InChI

InChI=1S/C14H16O2S/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,15,16)