(2S,3R,5S)-5-ethanoyl-2-methyl-3-(phenylmethyl)cyclohexan-1-one

Systemtic Name: (2S,3R,5S)-5-ethanoyl-2-methyl-3-(phenylmethyl)cyclohexan-1-one Openeye Name: (2S,3R,5S)-5-acetyl-3-benzyl-2-methyl-cyclohexanone CAS Name: (2S,3R,5S)-5-acetyl-2-methyl-3-(phenylmethyl)-1-cyclohexanone IUPAC Name: (2S,3R,5S)-5-acetyl-3-benzyl-2-methylcyclohexan-1-one Traditional Name: (2S,3R,5S)-5-acetyl-3-benzyl-2-methyl-cyclohexanone Formula: C16H20O2 MolecularWeight: 244.3288

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC(CC1=O)C(=O)C)CC2=CC=CC=C2

Isomeric SMILES

C[C@H]1[C@H](C[C@@H](CC1=O)C(=O)C)CC2=CC=CC=C2

InChI

InChI=1S/C16H20O2/c1-11-14(8-13-6-4-3-5-7-13)9-15(12(2)17)10-16(11)18/h3-7,11,14-15H,8-10H2,1-2H3/t11-,14-,15-/m0/s1