methyl (1R,6R)-3-ethanoyl-2-oxidanyl-4-oxidanylidene-6-phenyl-cyclohex-2-ene-1-carboxylate

Systemtic Name: methyl (1R,6R)-3-ethanoyl-2-oxidanyl-4-oxidanylidene-6-phenyl-cyclohex-2-ene-1-carboxylate Openeye Name: methyl (1R,6R)-3-acetyl-2-hydroxy-4-oxo-6-phenyl-cyclohex-2-ene-1-carboxylate CAS Name: (1R,6R)-3-acetyl-2-hydroxy-4-oxo-6-phenyl-1-cyclohex-2-enecarboxylic acid methyl ester IUPAC Name: methyl (1R,6R)-3-acetyl-2-hydroxy-4-oxo-6-phenylcyclohex-2-ene-1-carboxylate Traditional Name: (1R,6R)-3-acetyl-2-hydroxy-4-keto-6-phenyl-cyclohex-2-ene-1-carboxylic acid methyl ester Formula: C16H16O5 MolecularWeight: 288.29524

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(C(CC1=O)C2=CC=CC=C2)C(=O)OC)O

Isomeric SMILES

CC(=O)C1=C([C@@H]([C@@H](CC1=O)C2=CC=CC=C2)C(=O)OC)O

InChI

InChI=1S/C16H16O5/c1-9(17)13-12(18)8-11(10-6-4-3-5-7-10)14(15(13)19)16(20)21-2/h3-7,11,14,19H,8H2,1-2H3/t11-,14+/m0/s1