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

Systemtic Name: 5-(phenylmethylsulfanyl)cyclohex-2-ene-1-carboxylic acid Openeye Name: 5-benzylsulfanylcyclohex-2-ene-1-carboxylic acid CAS Name: 5-(phenylmethylthio)-1-cyclohex-2-enecarboxylic acid IUPAC Name: 5-benzylsulfanylcyclohex-2-ene-1-carboxylic acid Traditional Name: 5-(benzylthio)cyclohex-2-ene-1-carboxylic acid Formula: C14H16O2S MolecularWeight: 248.34064

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(CC1SCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1C=CC(CC1SCC2=CC=CC=C2)C(=O)O

InChI

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