2,6-dinitro-N,N-dipropyl-4-(trifluoromethylsulfonyl)aniline

Systemtic Name: 2,6-dinitro-N,N-dipropyl-4-(trifluoromethylsulfonyl)aniline Openeye Name: 2,6-dinitro-N,N-dipropyl-4-(trifluoromethylsulfonyl)aniline CAS Name: 2,6-dinitro-N,N-dipropyl-4-(trifluoromethylsulfonyl)aniline IUPAC Name: 2,6-dinitro-N,N-dipropyl-4-(trifluoromethylsulfonyl)aniline Traditional Name: (2,6-dinitro-4-triflyl-phenyl)-dipropyl-amine Formula: C13H16F3N3O6S MolecularWeight: 399.34285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H16F3N3O6S/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(8-11(12)19(22)23)26(24,25)13(14,15)16/h7-8H,3-6H2,1-2H3