methyl 4-(4-methylphenyl)sulfanylbutanoate

Systemtic Name: methyl 4-(4-methylphenyl)sulfanylbutanoate Openeye Name: methyl 4-(p-tolylsulfanyl)butanoate CAS Name: 4-[(4-methylphenyl)thio]butanoic acid methyl ester IUPAC Name: methyl 4-(4-methylphenyl)sulfanylbutanoate Traditional Name: 4-(p-tolylthio)butyric acid methyl ester Formula: C12H16O2S MolecularWeight: 224.31924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)OC

InChI

InChI=1S/C12H16O2S/c1-10-5-7-11(8-6-10)15-9-3-4-12(13)14-2/h5-8H,3-4,9H2,1-2H3