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

Systemtic Name: (2S,3S)-3-methyl-2-(phenylmethyl)cyclohexan-1-one Openeye Name: (2S,3S)-2-benzyl-3-methyl-cyclohexanone CAS Name: (2S,3S)-3-methyl-2-(phenylmethyl)-1-cyclohexanone IUPAC Name: (2S,3S)-2-benzyl-3-methylcyclohexan-1-one Traditional Name: (2S,3S)-2-benzyl-3-methyl-cyclohexanone Formula: C14H18O MolecularWeight: 202.29212

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=O)C1CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C14H18O/c1-11-6-5-9-14(15)13(11)10-12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3/t11-,13-/m0/s1