(2R,3S,4R,5R)-2,4-diethanoyl-3-(4-ethylphenyl)-5-methyl-5-oxidanyl-cyclohexan-1-one

Systemtic Name: (2R,3S,4R,5R)-2,4-diethanoyl-3-(4-ethylphenyl)-5-methyl-5-oxidanyl-cyclohexan-1-one Openeye Name: (2R,3S,4R,5R)-2,4-diacetyl-3-(4-ethylphenyl)-5-hydroxy-5-methyl-cyclohexanone CAS Name: (2R,3S,4R,5R)-2,4-diacetyl-3-(4-ethylphenyl)-5-hydroxy-5-methyl-1-cyclohexanone IUPAC Name: (2R,3S,4R,5R)-2,4-diacetyl-3-(4-ethylphenyl)-5-hydroxy-5-methylcyclohexan-1-one Traditional Name: (2R,3S,4R,5R)-2,4-diacetyl-3-(4-ethylphenyl)-5-hydroxy-5-methyl-cyclohexanone Formula: C19H24O4 MolecularWeight: 316.39146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(C(=O)CC(C2C(=O)C)(C)O)C(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)C[C@@]([C@@H]2C(=O)C)(C)O)C(=O)C

InChI

InChI=1S/C19H24O4/c1-5-13-6-8-14(9-7-13)17-16(11(2)20)15(22)10-19(4,23)18(17)12(3)21/h6-9,16-18,23H,5,10H2,1-4H3/t16-,17-,18-,19-/m1/s1