(2S,3S)-3-butyl-2-(phenylmethyl)cycloheptan-1-one

Systemtic Name: (2S,3S)-3-butyl-2-(phenylmethyl)cycloheptan-1-one Openeye Name: (2S,3S)-2-benzyl-3-butyl-cycloheptanone CAS Name: (2S,3S)-3-butyl-2-(phenylmethyl)-1-cycloheptanone IUPAC Name: (2S,3S)-2-benzyl-3-butylcycloheptan-1-one Traditional Name: (2S,3S)-2-benzyl-3-butyl-cycloheptanone Formula: C18H26O MolecularWeight: 258.39844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCCCC(=O)C1CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H26O/c1-2-3-11-16-12-7-8-13-18(19)17(16)14-15-9-5-4-6-10-15/h4-6,9-10,16-17H,2-3,7-8,11-14H2,1H3/t16-,17-/m0/s1