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

Systemtic Name: [[4-[2-[[4-[bis(fluoranyl)-phosphono-methyl]phenyl]methyl]-2-methoxycarbonyl-3-oxidanylidene-3-phenylmethoxy-propyl]phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[4-[2-benzyloxycarbonyl-2-[[4-[difluoro(phosphono)methyl]phenyl]methyl]-3-methoxy-3-oxo-propyl]phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[4-[2-[[4-[difluoro(phosphono)methyl]phenyl]methyl]-2-methoxycarbonyl-3-oxo-3-phenylmethoxypropyl]phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[4-[2-[[4-[difluoro(phosphono)methyl]phenyl]methyl]-2-methoxycarbonyl-3-oxo-3-phenylmethoxypropyl]phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[4-[2-carbobenzoxy-2-[4-[difluoro(phosphono)methyl]benzyl]-3-keto-3-methoxy-propyl]phenyl]-difluoro-methyl]phosphonic acid Formula: C27H26F4O10P2 MolecularWeight: 648.430475

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)C(F)(F)P(=O)(O)O)(CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)C(F)(F)P(=O)(O)O)(CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H26F4O10P2/c1-40-23(32)25(24(33)41-17-20-5-3-2-4-6-20,15-18-7-11-21(12-8-18)26(28,29)42(34,35)36)16-19-9-13-22(14-10-19)27(30,31)43(37,38)39/h2-14H,15-17H2,1H3,(H2,34,35,36)(H2,37,38,39)