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

Systemtic Name: [[4-[2-[[4-[bis(fluoranyl)-phosphono-methyl]phenyl]methyl]-3-(4-fluorophenyl)-3-oxidanylidene-2-(4-propan-2-yloxycarbonylphenyl)propyl]phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[4-[2-[[4-[difluoro(phosphono)methyl]phenyl]methyl]-3-(4-fluorophenyl)-2-(4-isopropoxycarbonylphenyl)-3-oxo-propyl]phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[4-[2-[[4-[difluoro(phosphono)methyl]phenyl]methyl]-3-(4-fluorophenyl)-3-oxo-2-[4-[oxo(propan-2-yloxy)methyl]phenyl]propyl]phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[4-[2-[[4-[difluoro(phosphono)methyl]phenyl]methyl]-3-(4-fluorophenyl)-3-oxo-2-(4-propan-2-yloxycarbonylphenyl)propyl]phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[4-[2-[4-[difluoro(phosphono)methyl]benzyl]-3-(4-fluorophenyl)-2-(4-isopropoxycarbonylphenyl)-3-keto-propyl]phenyl]-difluoro-methyl]phosphonic acid Formula: C34H31F5O9P2 MolecularWeight: 740.544078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)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)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)OC(=O)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)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C34H31F5O9P2/c1-21(2)48-31(41)25-7-15-26(16-8-25)32(30(40)24-9-17-29(35)18-10-24,19-22-3-11-27(12-4-22)33(36,37)49(42,43)44)20-23-5-13-28(14-6-23)34(38,39)50(45,46)47/h3-18,21H,19-20H2,1-2H3,(H2,42,43,44)(H2,45,46,47)