N,N-dimethyl-2,3-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]propan-1-amine

Systemtic Name: N,N-dimethyl-2,3-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]propan-1-amine Openeye Name: N,N-dimethyl-2,3-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]propan-1-amine CAS Name: N,N-dimethyl-2,3-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]-1-propanamine IUPAC Name: N,N-dimethyl-2,3-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]propan-1-amine Traditional Name: 2,3-bis(2-nitro-4-triflyl-phenoxy)propyl-dimethyl-amine Formula: C19H17F6N3O10S2 MolecularWeight: 625.472799

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(COC1=C(C=C(C=C1)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])OC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN(C)CC(COC1=C(C=C(C=C1)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])OC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H17F6N3O10S2/c1-26(2)9-11(38-17-6-4-13(8-15(17)28(31)32)40(35,36)19(23,24)25)10-37-16-5-3-12(7-14(16)27(29)30)39(33,34)18(20,21)22/h3-8,11H,9-10H2,1-2H3