methyl 4-methyl-4-oxidanyl-5-oxidanylidene-3-phenyl-hexanoate

Systemtic Name: methyl 4-methyl-4-oxidanyl-5-oxidanylidene-3-phenyl-hexanoate Openeye Name: methyl 4-hydroxy-4-methyl-5-oxo-3-phenyl-hexanoate CAS Name: 4-hydroxy-4-methyl-5-oxo-3-phenylhexanoic acid methyl ester IUPAC Name: methyl 4-hydroxy-4-methyl-5-oxo-3-phenylhexanoate Traditional Name: 4-hydroxy-5-keto-4-methyl-3-phenyl-hexanoic acid methyl ester Formula: C14H18O4 MolecularWeight: 250.29032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O4/c1-10(15)14(2,17)12(9-13(16)18-3)11-7-5-4-6-8-11/h4-8,12,17H,9H2,1-3H3