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

Systemtic Name: [[4-[2-[[4-[bis(fluoranyl)-phosphono-methyl]-3-bromanyl-phenyl]methyl]-3-oxidanylidene-2,3-diphenyl-propyl]phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[2-bromo-4-[2-[[4-[difluoro(phosphono)methyl]phenyl]methyl]-3-oxo-2,3-diphenyl-propyl]phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[2-bromo-4-[2-[[4-[difluoro(phosphono)methyl]phenyl]methyl]-3-oxo-2,3-diphenylpropyl]phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[2-bromo-4-[2-[[4-[difluoro(phosphono)methyl]phenyl]methyl]-3-oxo-2,3-diphenylpropyl]phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[2-bromo-4-[2-[4-[difluoro(phosphono)methyl]benzyl]-3-keto-2,3-diphenyl-propyl]phenyl]-difluoro-methyl]phosphonic acid Formula: C30H25BrF4O7P2 MolecularWeight: 715.360435

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)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)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)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)C4=CC=CC=C4

InChI

InChI=1S/C30H25BrF4O7P2/c31-26-17-21(13-16-25(26)30(34,35)44(40,41)42)19-28(23-9-5-2-6-10-23,27(36)22-7-3-1-4-8-22)18-20-11-14-24(15-12-20)29(32,33)43(37,38)39/h1-17H,18-19H2,(H2,37,38,39)(H2,40,41,42)