(3S)-3-(3,4-dimethylphenyl)-4-methyl-pentanoate

Systemtic Name: (3S)-3-(3,4-dimethylphenyl)-4-methyl-pentanoate Openeye Name: (3S)-3-(3,4-dimethylphenyl)-4-methyl-pentanoate CAS Name: (3S)-3-(3,4-dimethylphenyl)-4-methylpentanoate IUPAC Name: (3S)-3-(3,4-dimethylphenyl)-4-methylpentanoate Traditional Name: (3S)-3-(3,4-dimethylphenyl)-4-methyl-valerate Formula: C14H19O2- MolecularWeight: 219.29946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O2/c1-9(2)13(8-14(15)16)12-6-5-10(3)11(4)7-12/h5-7,9,13H,8H2,1-4H3,(H,15,16)/p-1/t13-/m0/s1