aniline; [2,6-dinitro-4-(trifluoromethyl)phenyl]-ethoxy-phosphinic acid

Systemtic Name: aniline; [2,6-dinitro-4-(trifluoromethyl)phenyl]-ethoxy-phosphinic acid Openeye Name: aniline; [2,6-dinitro-4-(trifluoromethyl)phenyl]-ethoxy-phosphinic acid CAS Name: aniline; [2,6-dinitro-4-(trifluoromethyl)phenyl]-ethoxyphosphinic acid IUPAC Name: aniline; [2,6-dinitro-4-(trifluoromethyl)phenyl]-ethoxyphosphinic acid Traditional Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-ethoxy-phosphinic acid; phenylamine Formula: C15H15F3N3O7P MolecularWeight: 437.264471

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8F3N2O7P.C6H7N/c1-2-21-22(19,20)8-6(13(15)16)3-5(9(10,11)12)4-7(8)14(17)18;7-6-4-2-1-3-5-6/h3-4H,2H2,1H3,(H,19,20);1-5H,7H2