methyl 2,2-dimethyl-3-oxidanyl-4-phenyl-butanoate

Systemtic Name: methyl 2,2-dimethyl-3-oxidanyl-4-phenyl-butanoate Openeye Name: methyl 3-hydroxy-2,2-dimethyl-4-phenyl-butanoate CAS Name: 3-hydroxy-2,2-dimethyl-4-phenylbutanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2,2-dimethyl-4-phenylbutanoate Traditional Name: 3-hydroxy-2,2-dimethyl-4-phenyl-butyric acid methyl ester Formula: C13H18O3 MolecularWeight: 222.28022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(CC1=CC=CC=C1)O)C(=O)OC

Isomeric SMILES

CC(C)(C(CC1=CC=CC=C1)O)C(=O)OC

InChI

InChI=1S/C13H18O3/c1-13(2,12(15)16-3)11(14)9-10-7-5-4-6-8-10/h4-8,11,14H,9H2,1-3H3