(3S)-4,4-dimethyl-3-phenyl-pentanoate

Systemtic Name: (3S)-4,4-dimethyl-3-phenyl-pentanoate Openeye Name: (3S)-4,4-dimethyl-3-phenyl-pentanoate CAS Name: (3S)-4,4-dimethyl-3-phenylpentanoate IUPAC Name: (3S)-4,4-dimethyl-3-phenylpentanoate Traditional Name: (3S)-4,4-dimethyl-3-phenyl-valerate Formula: C13H17O2- MolecularWeight: 205.27288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O2/c1-13(2,3)11(9-12(14)15)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,14,15)/p-1/t11-/m1/s1