(2S)-3,3-dimethyl-2-(phenylmethyl)butanoate

Systemtic Name: (2S)-3,3-dimethyl-2-(phenylmethyl)butanoate Openeye Name: (2S)-2-benzyl-3,3-dimethyl-butanoate CAS Name: (2S)-3,3-dimethyl-2-(phenylmethyl)butanoate IUPAC Name: (2S)-2-benzyl-3,3-dimethylbutanoate Traditional Name: (2S)-2-benzyl-3,3-dimethyl-butyrate Formula: C13H17O2- MolecularWeight: 205.27288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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