(5R,6R)-1-cyclohexylsulfanyl-5-diphenylphosphoryl-6-methyl-cycloheptene

Systemtic Name: (5R,6R)-1-cyclohexylsulfanyl-5-diphenylphosphoryl-6-methyl-cycloheptene Openeye Name: (5R,6R)-1-cyclohexylsulfanyl-5-diphenylphosphoryl-6-methyl-cycloheptene CAS Name: (5R,6R)-1-(cyclohexylthio)-5-diphenylphosphoryl-6-methylcycloheptene IUPAC Name: (5R,6R)-1-cyclohexylsulfanyl-5-diphenylphosphoryl-6-methylcycloheptene Traditional Name: (5R,6R)-1-(cyclohexylthio)-5-diphenylphosphoryl-6-methyl-cycloheptene Formula: C26H33OPS MolecularWeight: 424.578381

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CCCC1P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)SC4CCCCC4

Isomeric SMILES

C[C@@H]1CC(=CCC[C@H]1P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)SC4CCCCC4

InChI

InChI=1S/C26H33OPS/c1-21-20-25(29-24-16-9-4-10-17-24)18-11-19-26(21)28(27,22-12-5-2-6-13-22)23-14-7-3-8-15-23/h2-3,5-8,12-15,18,21,24,26H,4,9-11,16-17,19-20H2,1H3/t21-,26-/m1/s1