(5R,6S)-1-(4-chlorophenyl)sulfanyl-5-diphenylphosphoryl-6-phenyl-cycloheptene

Systemtic Name: (5R,6S)-1-(4-chlorophenyl)sulfanyl-5-diphenylphosphoryl-6-phenyl-cycloheptene Openeye Name: (5R,6S)-1-(4-chlorophenyl)sulfanyl-5-diphenylphosphoryl-6-phenyl-cycloheptene CAS Name: (5R,6S)-1-[(4-chlorophenyl)thio]-5-diphenylphosphoryl-6-phenylcycloheptene IUPAC Name: (5R,6S)-1-(4-chlorophenyl)sulfanyl-5-diphenylphosphoryl-6-phenylcycloheptene Traditional Name: (5R,6S)-1-[(4-chlorophenyl)thio]-5-diphenylphosphoryl-6-phenyl-cycloheptene Formula: C31H28ClOPS MolecularWeight: 515.045181

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC(=C1)SC2=CC=C(C=C2)Cl)C3=CC=CC=C3)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@H]([C@@H](CC(=C1)SC2=CC=C(C=C2)Cl)C3=CC=CC=C3)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H28ClOPS/c32-25-19-21-28(22-20-25)35-29-17-10-18-31(30(23-29)24-11-4-1-5-12-24)34(33,26-13-6-2-7-14-26)27-15-8-3-9-16-27/h1-9,11-17,19-22,30-31H,10,18,23H2/t30-,31+/m0/s1