methyl 3-[(E)-2-[[4-[bis[(2-methylpropan-2-yl)oxy]phosphoryl-bis(fluoranyl)methyl]phenyl]methyl]-1-(4-fluorophenyl)-1-oxidanylidene-5-phenyl-pent-4-en-2-yl]benzoate

Systemtic Name: methyl 3-[(E)-2-[[4-[bis[(2-methylpropan-2-yl)oxy]phosphoryl-bis(fluoranyl)methyl]phenyl]methyl]-1-(4-fluorophenyl)-1-oxidanylidene-5-phenyl-pent-4-en-2-yl]benzoate Openeye Name: methyl 3-[(E)-1-[[4-[ditert-butoxyphosphoryl(difluoro)methyl]phenyl]methyl]-1-(4-fluorobenzoyl)-4-phenyl-but-3-enyl]benzoate CAS Name: 3-[(E)-2-[[4-[bis[(2-methylpropan-2-yl)oxy]phosphoryl-difluoromethyl]phenyl]methyl]-1-(4-fluorophenyl)-1-oxo-5-phenylpent-4-en-2-yl]benzoic acid methyl ester IUPAC Name: methyl 3-[(E)-2-[[4-[bis[(2-methylpropan-2-yl)oxy]phosphoryl-difluoromethyl]phenyl]methyl]-1-(4-fluorophenyl)-1-oxo-5-phenylpent-4-en-2-yl]benzoate Traditional Name: 3-[(E)-1-[4-[ditert-butoxyphosphoryl(difluoro)methyl]benzyl]-1-(4-fluorobenzoyl)-4-phenyl-but-3-enyl]benzoic acid methyl ester Formula: C41H44F3O6P MolecularWeight: 720.753431

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OP(=O)(C(C1=CC=C(C=C1)CC(CC=CC2=CC=CC=C2)(C3=CC=CC(=C3)C(=O)OC)C(=O)C4=CC=C(C=C4)F)(F)F)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OP(=O)(C(C1=CC=C(C=C1)CC(C/C=C/C2=CC=CC=C2)(C3=CC=CC(=C3)C(=O)OC)C(=O)C4=CC=C(C=C4)F)(F)F)OC(C)(C)C

InChI

InChI=1S/C41H44F3O6P/c1-38(2,3)49-51(47,50-39(4,5)6)41(43,44)33-22-18-30(19-23-33)28-40(26-12-15-29-13-9-8-10-14-29,36(45)31-20-24-35(42)25-21-31)34-17-11-16-32(27-34)37(46)48-7/h8-25,27H,26,28H2,1-7H3/b15-12+