(5R,6S)-1-cyclohexylsulfanyl-5-diphenylphosphoryl-6-phenyl-cycloheptene

Systemtic Name: (5R,6S)-1-cyclohexylsulfanyl-5-diphenylphosphoryl-6-phenyl-cycloheptene Openeye Name: (5R,6S)-1-cyclohexylsulfanyl-5-diphenylphosphoryl-6-phenyl-cycloheptene CAS Name: (5R,6S)-1-(cyclohexylthio)-5-diphenylphosphoryl-6-phenylcycloheptene IUPAC Name: (5R,6S)-1-cyclohexylsulfanyl-5-diphenylphosphoryl-6-phenylcycloheptene Traditional Name: (5R,6S)-1-(cyclohexylthio)-5-diphenylphosphoryl-6-phenyl-cycloheptene Formula: C31H35OPS MolecularWeight: 486.647761

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=CCCC(C(C2)C3=CC=CC=C3)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)SC2=CCC[C@H]([C@@H](C2)C3=CC=CC=C3)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H35OPS/c32-33(26-16-7-2-8-17-26,27-18-9-3-10-19-27)31-23-13-22-29(34-28-20-11-4-12-21-28)24-30(31)25-14-5-1-6-15-25/h1-3,5-10,14-19,22,28,30-31H,4,11-13,20-21,23-24H2/t30-,31+/m0/s1