methyl 1-oxidanyl-5-oxidanylidene-2-phenyl-cyclohexane-1-carboxylate

Systemtic Name: methyl 1-oxidanyl-5-oxidanylidene-2-phenyl-cyclohexane-1-carboxylate Openeye Name: methyl 1-hydroxy-5-oxo-2-phenyl-cyclohexanecarboxylate CAS Name: 1-hydroxy-5-oxo-2-phenyl-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-hydroxy-5-oxo-2-phenylcyclohexane-1-carboxylate Traditional Name: 1-hydroxy-5-keto-2-phenyl-cyclohexanecarboxylic acid methyl ester Formula: C14H16O4 MolecularWeight: 248.27444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(=O)CCC1C2=CC=CC=C2)O

Isomeric SMILES

COC(=O)C1(CC(=O)CCC1C2=CC=CC=C2)O

InChI

InChI=1S/C14H16O4/c1-18-13(16)14(17)9-11(15)7-8-12(14)10-5-3-2-4-6-10/h2-6,12,17H,7-9H2,1H3