(3S)-3-(2,5-dimethylphenyl)-4-methyl-pentanoate

Systemtic Name: (3S)-3-(2,5-dimethylphenyl)-4-methyl-pentanoate Openeye Name: (3S)-3-(2,5-dimethylphenyl)-4-methyl-pentanoate CAS Name: (3S)-3-(2,5-dimethylphenyl)-4-methylpentanoate IUPAC Name: (3S)-3-(2,5-dimethylphenyl)-4-methylpentanoate Traditional Name: (3S)-3-(2,5-dimethylphenyl)-4-methyl-valerate Formula: C14H19O2- MolecularWeight: 219.29946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O2/c1-9(2)12(8-14(15)16)13-7-10(3)5-6-11(13)4/h5-7,9,12H,8H2,1-4H3,(H,15,16)/p-1/t12-/m0/s1