3-(phenylmethylsulfanyl)cyclohexene-1-carboxylic acid

Systemtic Name: 3-(phenylmethylsulfanyl)cyclohexene-1-carboxylic acid Openeye Name: 3-benzylsulfanylcyclohexene-1-carboxylic acid CAS Name: 3-(phenylmethylthio)-1-cyclohexenecarboxylic acid IUPAC Name: 3-benzylsulfanylcyclohexene-1-carboxylic acid Traditional Name: 3-(benzylthio)cyclohexene-1-carboxylic acid Formula: C14H16O2S MolecularWeight: 248.34064

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C=C(C1)C(=O)O)SCC2=CC=CC=C2

Isomeric SMILES

C1CC(C=C(C1)C(=O)O)SCC2=CC=CC=C2

InChI

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