(3S)-3-(4-methylphenyl)pentanoate

Systemtic Name: (3S)-3-(4-methylphenyl)pentanoate Openeye Name: (3S)-3-(p-tolyl)pentanoate CAS Name: (3S)-3-(4-methylphenyl)pentanoate IUPAC Name: (3S)-3-(4-methylphenyl)pentanoate Traditional Name: (3S)-3-(p-tolyl)valerate Formula: C12H15O2- MolecularWeight: 191.2463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O2/c1-3-10(8-12(13)14)11-6-4-9(2)5-7-11/h4-7,10H,3,8H2,1-2H3,(H,13,14)/p-1/t10-/m0/s1