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

Systemtic Name: (2S,3S)-3-ethyl-2-(phenylmethyl)cyclohexan-1-one Openeye Name: (2S,3S)-2-benzyl-3-ethyl-cyclohexanone CAS Name: (2S,3S)-3-ethyl-2-(phenylmethyl)-1-cyclohexanone IUPAC Name: (2S,3S)-2-benzyl-3-ethylcyclohexan-1-one Traditional Name: (2S,3S)-2-benzyl-3-ethyl-cyclohexanone Formula: C15H20O MolecularWeight: 216.3187

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC(=O)C1CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C15H20O/c1-2-13-9-6-10-15(16)14(13)11-12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3/t13-,14-/m0/s1