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

Systemtic Name: 4-[2,3-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]propyl]morpholine Openeye Name: 4-[2,3-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]propyl]morpholine CAS Name: 4-[2,3-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]propyl]morpholine IUPAC Name: 4-[2,3-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]propyl]morpholine Traditional Name: 4-[2,3-bis(2-nitro-4-triflyl-phenoxy)propyl]morpholine Formula: C21H19F6N3O11S2 MolecularWeight: 667.509479

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC(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-]

Isomeric SMILES

C1COCCN1CC(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-]

InChI

InChI=1S/C21H19F6N3O11S2/c22-20(23,24)42(35,36)14-1-3-18(16(9-14)29(31)32)40-12-13(11-28-5-7-39-8-6-28)41-19-4-2-15(10-17(19)30(33)34)43(37,38)21(25,26)27/h1-4,9-10,13H,5-8,11-12H2