(3,5-dinitrophenyl)methyl-tris(3-methylphenyl)phosphanium bromide

Systemtic Name: (3,5-dinitrophenyl)methyl-tris(3-methylphenyl)phosphanium bromide Openeye Name: (3,5-dinitrophenyl)methyl-tris(m-tolyl)phosphonium bromide CAS Name: (3,5-dinitrophenyl)methyl-tris(3-methylphenyl)phosphonium bromide IUPAC Name: (3,5-dinitrophenyl)methyl-tris(3-methylphenyl)phosphanium bromide Traditional Name: (3,5-dinitrobenzyl)-tris(m-tolyl)phosphonium bromide Formula: C28H26BrN2O4P MolecularWeight: 565.394801

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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(=C3)C)C4=CC=CC(=C4)C.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C28H26N2O4P.BrH/c1-20-7-4-10-26(13-20)35(27-11-5-8-21(2)14-27,28-12-6-9-22(3)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