(3R)-3-(3,4-dimethylphenyl)butanoate

Systemtic Name: (3R)-3-(3,4-dimethylphenyl)butanoate Openeye Name: (3R)-3-(3,4-dimethylphenyl)butanoate CAS Name: (3R)-3-(3,4-dimethylphenyl)butanoate IUPAC Name: (3R)-3-(3,4-dimethylphenyl)butanoate Traditional Name: (3R)-3-(3,4-dimethylphenyl)butyrate Formula: C12H15O2- MolecularWeight: 191.2463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O2/c1-8-4-5-11(6-9(8)2)10(3)7-12(13)14/h4-6,10H,7H2,1-3H3,(H,13,14)/p-1/t10-/m1/s1