[2-[2,4-bis(fluoranyl)phenyl]-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] bis(phenylmethyl) phosphate

Systemtic Name: [2-[2,4-bis(fluoranyl)phenyl]-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] bis(phenylmethyl) phosphate Openeye Name: dibenzyl [1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)-1-(1,2,4-triazol-1-ylmethyl)ethyl] phosphate CAS Name: phosphoric acid [2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] bis(phenylmethyl) ester IUPAC Name: dibenzyl [2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] phosphate Traditional Name: phosphoric acid dibenzyl [1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)-1-(1,2,4-triazol-1-ylmethyl)ethyl] ester Formula: C27H25F2N6O4P MolecularWeight: 566.495767

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COP(=O)(OCC2=CC=CC=C2)OC(CN3C=NC=N3)(CN4C=NC=N4)C5=C(C=C(C=C5)F)F

Isomeric SMILES

C1=CC=C(C=C1)COP(=O)(OCC2=CC=CC=C2)OC(CN3C=NC=N3)(CN4C=NC=N4)C5=C(C=C(C=C5)F)F

InChI

InChI=1S/C27H25F2N6O4P/c28-24-11-12-25(26(29)13-24)27(16-34-20-30-18-32-34,17-35-21-31-19-33-35)39-40(36,37-14-22-7-3-1-4-8-22)38-15-23-9-5-2-6-10-23/h1-13,18-21H,14-17H2