1-[(1R,6S,7R)-6-phenylsulfanyl-7-bicyclo[4.2.0]octanyl]propan-1-one

Systemtic Name: 1-[(1R,6S,7R)-6-phenylsulfanyl-7-bicyclo[4.2.0]octanyl]propan-1-one Openeye Name: 1-[(1R,6S,7R)-6-phenylsulfanyl-7-bicyclo[4.2.0]octanyl]propan-1-one CAS Name: 1-[(1R,6S,7R)-6-(phenylthio)-7-bicyclo[4.2.0]octanyl]-1-propanone IUPAC Name: 1-[(1R,6S,7R)-6-phenylsulfanyl-7-bicyclo[4.2.0]octanyl]propan-1-one Traditional Name: 1-[(1R,6S,7R)-6-(phenylthio)-7-bicyclo[4.2.0]octanyl]propan-1-one Formula: C17H22OS MolecularWeight: 274.42098

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1CC2C1(CCCC2)SC3=CC=CC=C3

Isomeric SMILES

CCC(=O)[C@H]1C[C@@H]2[C@]1(CCCC2)SC3=CC=CC=C3

InChI

InChI=1S/C17H22OS/c1-2-16(18)15-12-13-8-6-7-11-17(13,15)19-14-9-4-3-5-10-14/h3-5,9-10,13,15H,2,6-8,11-12H2,1H3/t13-,15-,17+/m1/s1