methyl 3-methyl-4-(4-sulfanylphenyl)butanoate

Systemtic Name: methyl 3-methyl-4-(4-sulfanylphenyl)butanoate Openeye Name: methyl 3-methyl-4-(4-sulfanylphenyl)butanoate CAS Name: 4-(4-mercaptophenyl)-3-methylbutanoic acid methyl ester IUPAC Name: methyl 3-methyl-4-(4-sulfanylphenyl)butanoate Traditional Name: 4-(4-mercaptophenyl)-3-methyl-butyric acid methyl ester Formula: C12H16O2S MolecularWeight: 224.31924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O2S/c1-9(8-12(13)14-2)7-10-3-5-11(15)6-4-10/h3-6,9,15H,7-8H2,1-2H3