[2,6-dinitro-4-(trifluoromethyl)phenyl]-propoxy-phosphinic acid; 4-methylaniline

Systemtic Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-propoxy-phosphinic acid; 4-methylaniline Openeye Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-propoxy-phosphinic acid; 4-methylaniline CAS Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-propoxyphosphinic acid; 4-methylaniline IUPAC Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-propoxyphosphinic acid; 4-methylaniline Traditional Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-propoxy-phosphinic acid; p-toluidine Formula: C17H19F3N3O7P MolecularWeight: 465.317631

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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.CC1=CC=C(C=C1)N

Isomeric SMILES

CCCOP(=O)(C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])O.CC1=CC=C(C=C1)N

InChI

InChI=1S/C10H10F3N2O7P.C7H9N/c1-2-3-22-23(20,21)9-7(14(16)17)4-6(10(11,12)13)5-8(9)15(18)19;1-6-2-4-7(8)5-3-6/h4-5H,2-3H2,1H3,(H,20,21);2-5H,8H2,1H3