2,4,6-trinitrophenolate; tris(dimethylamino)-(trichloromethyl)phosphanium

Systemtic Name: 2,4,6-trinitrophenolate; tris(dimethylamino)-(trichloromethyl)phosphanium Openeye Name: 2,4,6-trinitrophenolate; tris(dimethylamino)-(trichloromethyl)phosphonium CAS Name: 2,4,6-trinitrophenolate; tris(dimethylamino)-(trichloromethyl)phosphonium IUPAC Name: 2,4,6-trinitrophenolate; tris(dimethylamino)-(trichloromethyl)phosphanium Traditional Name: tris(dimethylamino)-(trichloromethyl)phosphonium picrate Formula: C13H20Cl3N6O7P MolecularWeight: 509.666661

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)[P+](C(Cl)(Cl)Cl)(N(C)C)N(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(C)[P+](C(Cl)(Cl)Cl)(N(C)C)N(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H18Cl3N3P.C6H3N3O7/c1-11(2)14(12(3)4,13(5)6)7(8,9)10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-6H3;1-2,10H/q+1;/p-1