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

Systemtic Name: [bis(fluoranyl)-[4-[2-(4-fluorophenyl)-3-(4-methoxycarbonylphenyl)-3-oxidanylidene-2-(phenylmethyl)propyl]phenyl]methyl]phosphonic acid Openeye Name: [[4-[2-benzyl-2-(4-fluorophenyl)-3-(4-methoxycarbonylphenyl)-3-oxo-propyl]phenyl]-difluoro-methyl]phosphonic acid CAS Name: [difluoro-[4-[2-(4-fluorophenyl)-3-(4-methoxycarbonylphenyl)-3-oxo-2-(phenylmethyl)propyl]phenyl]methyl]phosphonic acid IUPAC Name: [[4-[2-benzyl-2-(4-fluorophenyl)-3-(4-methoxycarbonylphenyl)-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[4-[2-benzyl-3-(4-carbomethoxyphenyl)-2-(4-fluorophenyl)-3-keto-propyl]phenyl]-difluoro-methyl]phosphonic acid Formula: C31H26F3O6P MolecularWeight: 582.503511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H26F3O6P/c1-40-29(36)24-11-9-23(10-12-24)28(35)30(19-21-5-3-2-4-6-21,25-15-17-27(32)18-16-25)20-22-7-13-26(14-8-22)31(33,34)41(37,38)39/h2-18H,19-20H2,1H3,(H2,37,38,39)