1-[3-diphenylphosphoryl-4-(2-fluoranyl-4-nitro-phenoxy)phenoxy]-4-nitro-2-(trifluoromethyl)benzene

Systemtic Name: 1-[3-diphenylphosphoryl-4-(2-fluoranyl-4-nitro-phenoxy)phenoxy]-4-nitro-2-(trifluoromethyl)benzene Openeye Name: 1-[3-diphenylphosphoryl-4-(2-fluoro-4-nitro-phenoxy)phenoxy]-4-nitro-2-(trifluoromethyl)benzene CAS Name: 1-[3-diphenylphosphoryl-4-(2-fluoro-4-nitrophenoxy)phenoxy]-4-nitro-2-(trifluoromethyl)benzene IUPAC Name: 1-[3-diphenylphosphoryl-4-(2-fluoro-4-nitrophenoxy)phenoxy]-4-nitro-2-(trifluoromethyl)benzene Traditional Name: 1-[3-diphenylphosphoryl-4-(2-fluoro-4-nitro-phenoxy)phenoxy]-4-nitro-2-(trifluoromethyl)benzene Formula: C31H19F4N2O7P MolecularWeight: 638.459134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=C(C=CC(=C3)OC4=C(C=C(C=C4)[N+](=O)[O-])C(F)(F)F)OC5=C(C=C(C=C5)[N+](=O)[O-])F

Isomeric SMILES

C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=C(C=CC(=C3)OC4=C(C=C(C=C4)[N+](=O)[O-])C(F)(F)F)OC5=C(C=C(C=C5)[N+](=O)[O-])F

InChI

InChI=1S/C31H19F4N2O7P/c32-26-18-21(37(40)41)12-15-28(26)44-29-16-13-22(43-27-14-11-20(36(38)39)17-25(27)31(33,34)35)19-30(29)45(42,23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-19H