(3,5-dinitrophenyl)methyl-tris(2-methylphenyl)phosphanium phosphate

Systemtic Name: (3,5-dinitrophenyl)methyl-tris(2-methylphenyl)phosphanium phosphate Openeye Name: (3,5-dinitrophenyl)methyl-tris(o-tolyl)phosphonium phosphate CAS Name: (3,5-dinitrophenyl)methyl-tris(2-methylphenyl)phosphonium phosphate IUPAC Name: (3,5-dinitrophenyl)methyl-tris(2-methylphenyl)phosphanium phosphate Traditional Name: (3,5-dinitrobenzyl)-tris(o-tolyl)phosphonium phosphate Formula: C28H26N2O8P2-2 MolecularWeight: 580.462162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1[P+](CC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])(C3=CC=CC=C3C)C4=CC=CC=C4C.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CC1=CC=CC=C1[P+](CC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])(C3=CC=CC=C3C)C4=CC=CC=C4C.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C28H26N2O4P.H3O4P/c1-20-10-4-7-13-26(20)35(27-14-8-5-11-21(27)2,28-15-9-6-12-22(28)3)19-23-16-24(29(31)32)18-25(17-23)30(33)34;1-5(2,3)4/h4-18H,19H2,1-3H3;(H3,1,2,3,4)/q+1;/p-3