[[4-[2-[[4-[bis(fluoranyl)-phosphono-methyl]-3-bromanyl-phenyl]methyl]-3-(4-fluorophenyl)-3-oxidanylidene-2-phenyl-propyl]phenyl]-bis(fluoranyl)methyl]phosphonic acid

Systemtic Name: [[4-[2-[[4-[bis(fluoranyl)-phosphono-methyl]-3-bromanyl-phenyl]methyl]-3-(4-fluorophenyl)-3-oxidanylidene-2-phenyl-propyl]phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[2-bromo-4-[2-[[4-[difluoro(phosphono)methyl]phenyl]methyl]-3-(4-fluorophenyl)-3-oxo-2-phenyl-propyl]phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[2-bromo-4-[2-[[4-[difluoro(phosphono)methyl]phenyl]methyl]-3-(4-fluorophenyl)-3-oxo-2-phenylpropyl]phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[2-bromo-4-[2-[[4-[difluoro(phosphono)methyl]phenyl]methyl]-3-(4-fluorophenyl)-3-oxo-2-phenylpropyl]phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[2-bromo-4-[2-[4-[difluoro(phosphono)methyl]benzyl]-3-(4-fluorophenyl)-3-keto-2-phenyl-propyl]phenyl]-difluoro-methyl]phosphonic acid Formula: C30H24BrF5O7P2 MolecularWeight: 733.350898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)(CC3=CC(=C(C=C3)C(F)(F)P(=O)(O)O)Br)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)C(CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)(CC3=CC(=C(C=C3)C(F)(F)P(=O)(O)O)Br)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C30H24BrF5O7P2/c31-26-16-20(8-15-25(26)30(35,36)45(41,42)43)18-28(22-4-2-1-3-5-22,27(37)21-9-13-24(32)14-10-21)17-19-6-11-23(12-7-19)29(33,34)44(38,39)40/h1-16H,17-18H2,(H2,38,39,40)(H2,41,42,43)