(2S,3R)-3-ethenyl-2-(phenylsulfanylmethyl)cycloheptan-1-one

Systemtic Name: (2S,3R)-3-ethenyl-2-(phenylsulfanylmethyl)cycloheptan-1-one Openeye Name: (2S,3R)-2-(phenylsulfanylmethyl)-3-vinyl-cycloheptanone CAS Name: (2S,3R)-3-ethenyl-2-[(phenylthio)methyl]-1-cycloheptanone IUPAC Name: (2S,3R)-3-ethenyl-2-(phenylsulfanylmethyl)cycloheptan-1-one Traditional Name: (2S,3R)-2-[(phenylthio)methyl]-3-vinyl-cycloheptanone Formula: C16H20OS MolecularWeight: 260.3944

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1CCCCC(=O)C1CSC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H20OS/c1-2-13-8-6-7-11-16(17)15(13)12-18-14-9-4-3-5-10-14/h2-5,9-10,13,15H,1,6-8,11-12H2/t13-,15-/m0/s1