(5R,6S)-5-diphenylphosphoryl-6-phenyl-1-propan-2-ylsulfanyl-cycloheptene

Systemtic Name: (5R,6S)-5-diphenylphosphoryl-6-phenyl-1-propan-2-ylsulfanyl-cycloheptene Openeye Name: (5R,6S)-5-diphenylphosphoryl-1-isopropylsulfanyl-6-phenyl-cycloheptene CAS Name: (5R,6S)-5-diphenylphosphoryl-6-phenyl-1-(propan-2-ylthio)cycloheptene IUPAC Name: (5R,6S)-5-diphenylphosphoryl-6-phenyl-1-propan-2-ylsulfanylcycloheptene Traditional Name: (5R,6S)-5-diphenylphosphoryl-1-(isopropylthio)-6-phenyl-cycloheptene Formula: C28H31OPS MolecularWeight: 446.583901

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CCCC(C(C1)C2=CC=CC=C2)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)SC1=CCC[C@H]([C@@H](C1)C2=CC=CC=C2)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H31OPS/c1-22(2)31-26-19-12-20-28(27(21-26)23-13-6-3-7-14-23)30(29,24-15-8-4-9-16-24)25-17-10-5-11-18-25/h3-11,13-19,22,27-28H,12,20-21H2,1-2H3/t27-,28+/m0/s1