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

Systemtic Name: (2S,3R,4R,5S)-2,4-diethanoyl-5-methyl-3-(4-methylphenyl)-5-oxidanyl-cyclohexan-1-one Openeye Name: (2S,3R,4R,5S)-2,4-diacetyl-5-hydroxy-5-methyl-3-(p-tolyl)cyclohexanone CAS Name: (2S,3R,4R,5S)-2,4-diacetyl-5-hydroxy-5-methyl-3-(4-methylphenyl)-1-cyclohexanone IUPAC Name: (2S,3R,4R,5S)-2,4-diacetyl-5-hydroxy-5-methyl-3-(4-methylphenyl)cyclohexan-1-one Traditional Name: (2S,3R,4R,5S)-2,4-diacetyl-5-hydroxy-5-methyl-3-(p-tolyl)cyclohexanone Formula: C18H22O4 MolecularWeight: 302.36488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(=O)CC(C2C(=O)C)(C)O)C(=O)C

Isomeric SMILES

CC1=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/C18H22O4/c1-10-5-7-13(8-6-10)16-15(11(2)19)14(21)9-18(4,22)17(16)12(3)20/h5-8,15-17,22H,9H2,1-4H3/t15-,16-,17+,18-/m0/s1