methyl 4,4-dimethyl-3-(4-methylsulfanylphenyl)pentanoate

Systemtic Name: methyl 4,4-dimethyl-3-(4-methylsulfanylphenyl)pentanoate Openeye Name: methyl 4,4-dimethyl-3-(4-methylsulfanylphenyl)pentanoate CAS Name: 4,4-dimethyl-3-[4-(methylthio)phenyl]pentanoic acid methyl ester IUPAC Name: methyl 4,4-dimethyl-3-(4-methylsulfanylphenyl)pentanoate Traditional Name: 4,4-dimethyl-3-[4-(methylthio)phenyl]valeric acid methyl ester Formula: C15H22O2S MolecularWeight: 266.39898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CC(=O)OC)C1=CC=C(C=C1)SC

Isomeric SMILES

CC(C)(C)C(CC(=O)OC)C1=CC=C(C=C1)SC

InChI

InChI=1S/C15H22O2S/c1-15(2,3)13(10-14(16)17-4)11-6-8-12(18-5)9-7-11/h6-9,13H,10H2,1-5H3