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

Systemtic Name: (2S,3S)-3-butyl-2-(phenylsulfanylmethyl)cycloheptan-1-one Openeye Name: (2S,3S)-3-butyl-2-(phenylsulfanylmethyl)cycloheptanone CAS Name: (2S,3S)-3-butyl-2-[(phenylthio)methyl]-1-cycloheptanone IUPAC Name: (2S,3S)-3-butyl-2-(phenylsulfanylmethyl)cycloheptan-1-one Traditional Name: (2S,3S)-3-butyl-2-[(phenylthio)methyl]cycloheptanone Formula: C18H26OS MolecularWeight: 290.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCCCC(=O)C1CSC2=CC=CC=C2

Isomeric SMILES

CCCC[C@H]1CCCCC(=O)[C@H]1CSC2=CC=CC=C2

InChI

InChI=1S/C18H26OS/c1-2-3-9-15-10-7-8-13-18(19)17(15)14-20-16-11-5-4-6-12-16/h4-6,11-12,15,17H,2-3,7-10,13-14H2,1H3/t15-,17-/m0/s1