[2,6-dinitro-4-(trifluoromethyl)phenyl]-propoxy-phosphinate; phenylazanium

Systemtic Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-propoxy-phosphinate; phenylazanium Openeye Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-propoxy-phosphinate; phenylammonium CAS Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-propoxyphosphinate; phenylammonium IUPAC Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-propoxyphosphinate; phenylazanium Traditional Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-propoxy-phosphinate; phenylammonium Formula: C16H17F3N3O7P MolecularWeight: 451.291051

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOP(=O)(C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])[O-].C1=CC=C(C=C1)[NH3+]

Isomeric SMILES

CCCOP(=O)(C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])[O-].C1=CC=C(C=C1)[NH3+]

InChI

InChI=1S/C10H10F3N2O7P.C6H7N/c1-2-3-22-23(20,21)9-7(14(16)17)4-6(10(11,12)13)5-8(9)15(18)19;7-6-4-2-1-3-5-6/h4-5H,2-3H2,1H3,(H,20,21);1-5H,7H2