methyl 4-phenylsulfanylcyclohex-3-ene-1-carboxylate

Systemtic Name: methyl 4-phenylsulfanylcyclohex-3-ene-1-carboxylate Openeye Name: methyl 4-phenylsulfanylcyclohex-3-ene-1-carboxylate CAS Name: 4-(phenylthio)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 4-phenylsulfanylcyclohex-3-ene-1-carboxylate Traditional Name: 4-(phenylthio)cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C14H16O2S MolecularWeight: 248.34064

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(=CC1)SC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1CCC(=CC1)SC2=CC=CC=C2

InChI

InChI=1S/C14H16O2S/c1-16-14(15)11-7-9-13(10-8-11)17-12-5-3-2-4-6-12/h2-6,9,11H,7-8,10H2,1H3