N-[2,3-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]propyl]-4-nitro-aniline

Systemtic Name: N-[2,3-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]propyl]-4-nitro-aniline Openeye Name: N-[2,3-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]propyl]-4-nitro-aniline CAS Name: N-[2,3-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]propyl]-4-nitroaniline IUPAC Name: N-[2,3-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]propyl]-4-nitroaniline Traditional Name: 2,3-bis(2-nitro-4-triflyl-phenoxy)propyl-(4-nitrophenyl)amine Formula: C23H16F6N4O12S2 MolecularWeight: 718.513159

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCC(COC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])OC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NCC(COC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])OC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H16F6N4O12S2/c24-22(25,26)46(40,41)16-5-7-20(18(9-16)32(36)37)44-12-15(11-30-13-1-3-14(4-2-13)31(34)35)45-21-8-6-17(10-19(21)33(38)39)47(42,43)23(27,28)29/h1-10,15,30H,11-12H2