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

Systemtic Name: methyl 5-oxidanyl-4-oxidanylidene-5-phenyl-hexanoate Openeye Name: methyl 5-hydroxy-4-oxo-5-phenyl-hexanoate CAS Name: 5-hydroxy-4-oxo-5-phenylhexanoic acid methyl ester IUPAC Name: methyl 5-hydroxy-4-oxo-5-phenylhexanoate Traditional Name: 5-hydroxy-4-keto-5-phenyl-hexanoic acid methyl ester Formula: C13H16O4 MolecularWeight: 236.26374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4/c1-13(16,10-6-4-3-5-7-10)11(14)8-9-12(15)17-2/h3-7,16H,8-9H2,1-2H3