methyl 4,4-dimethyl-2-oxidanyl-3-oxidanylidene-2-phenyl-pentanoate

Systemtic Name: methyl 4,4-dimethyl-2-oxidanyl-3-oxidanylidene-2-phenyl-pentanoate Openeye Name: methyl 2-hydroxy-4,4-dimethyl-3-oxo-2-phenyl-pentanoate CAS Name: 2-hydroxy-4,4-dimethyl-3-oxo-2-phenylpentanoic acid methyl ester IUPAC Name: methyl 2-hydroxy-4,4-dimethyl-3-oxo-2-phenylpentanoate Traditional Name: 2-hydroxy-3-keto-4,4-dimethyl-2-phenyl-valeric acid methyl ester Formula: C14H18O4 MolecularWeight: 250.29032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O4/c1-13(2,3)11(15)14(17,12(16)18-4)10-8-6-5-7-9-10/h5-9,17H,1-4H3