(3S)-3-methyl-4-(3-methylphenyl)butanoate

Systemtic Name: (3S)-3-methyl-4-(3-methylphenyl)butanoate Openeye Name: (3S)-3-methyl-4-(m-tolyl)butanoate CAS Name: (3S)-3-methyl-4-(3-methylphenyl)butanoate IUPAC Name: (3S)-3-methyl-4-(3-methylphenyl)butanoate Traditional Name: (3S)-3-methyl-4-(m-tolyl)butyrate Formula: C12H15O2- MolecularWeight: 191.2463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(C)CC(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)C[C@H](C)CC(=O)[O-]

InChI

InChI=1S/C12H16O2/c1-9-4-3-5-11(6-9)7-10(2)8-12(13)14/h3-6,10H,7-8H2,1-2H3,(H,13,14)/p-1/t10-/m0/s1