2-(phenylmethylsulfanyl)cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 2-(phenylmethylsulfanyl)cyclohex-3-ene-1-carboxylic acid Openeye Name: 2-benzylsulfanylcyclohex-3-ene-1-carboxylic acid CAS Name: 2-(phenylmethylthio)-1-cyclohex-3-enecarboxylic acid IUPAC Name: 2-benzylsulfanylcyclohex-3-ene-1-carboxylic acid Traditional Name: 2-(benzylthio)cyclohex-3-ene-1-carboxylic acid Formula: C14H16O2S MolecularWeight: 248.34064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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