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

Systemtic Name: (2S,3S)-3-phenyl-2-(phenylsulfanylmethyl)cycloheptan-1-one Openeye Name: (2S,3S)-3-phenyl-2-(phenylsulfanylmethyl)cycloheptanone CAS Name: (2S,3S)-3-phenyl-2-[(phenylthio)methyl]-1-cycloheptanone IUPAC Name: (2S,3S)-3-phenyl-2-(phenylsulfanylmethyl)cycloheptan-1-one Traditional Name: (2S,3S)-3-phenyl-2-[(phenylthio)methyl]cycloheptanone Formula: C20H22OS MolecularWeight: 310.45308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C(C1)C2=CC=CC=C2)CSC3=CC=CC=C3

Isomeric SMILES

C1CCC(=O)[C@H]([C@H](C1)C2=CC=CC=C2)CSC3=CC=CC=C3

InChI

InChI=1S/C20H22OS/c21-20-14-8-7-13-18(16-9-3-1-4-10-16)19(20)15-22-17-11-5-2-6-12-17/h1-6,9-12,18-19H,7-8,13-15H2/t18-,19+/m1/s1