3,3-dimethyl-4-phenyl-butanoate

Systemtic Name: 3,3-dimethyl-4-phenyl-butanoate Openeye Name: 3,3-dimethyl-4-phenyl-butanoate CAS Name: 3,3-dimethyl-4-phenylbutanoate IUPAC Name: 3,3-dimethyl-4-phenylbutanoate Traditional Name: 3,3-dimethyl-4-phenyl-butyrate Formula: C12H15O2- MolecularWeight: 191.2463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O2/c1-12(2,9-11(13)14)8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,13,14)/p-1