(3,5-dinitrophenyl)methyl-tris(4-methylphenyl)phosphanium iodide

Systemtic Name: (3,5-dinitrophenyl)methyl-tris(4-methylphenyl)phosphanium iodide Openeye Name: (3,5-dinitrophenyl)methyl-tris(p-tolyl)phosphonium iodide CAS Name: (3,5-dinitrophenyl)methyl-tris(4-methylphenyl)phosphonium iodide IUPAC Name: (3,5-dinitrophenyl)methyl-tris(4-methylphenyl)phosphanium iodide Traditional Name: (3,5-dinitrobenzyl)-tris(p-tolyl)phosphonium iodide Formula: C28H26IN2O4P MolecularWeight: 612.395271

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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