(3,5-dinitrophenyl)methyl-tris(4-methylphenyl)phosphanium; ethanoic acid; ethanoate

Systemtic Name: (3,5-dinitrophenyl)methyl-tris(4-methylphenyl)phosphanium; ethanoic acid; ethanoate Openeye Name: acetic acid; (3,5-dinitrophenyl)methyl-tris(p-tolyl)phosphonium; acetate CAS Name: acetic acid; (3,5-dinitrophenyl)methyl-tris(4-methylphenyl)phosphonium; acetate IUPAC Name: acetic acid; (3,5-dinitrophenyl)methyl-tris(4-methylphenyl)phosphanium; acetate Traditional Name: acetic acid; (3,5-dinitrobenzyl)-tris(p-tolyl)phosphonium; acetate Formula: C32H33N2O8P MolecularWeight: 604.586781

Click to see the large picture

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.CC(=O)O.CC(=O)[O-]

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.CC(=O)O.CC(=O)[O-]

InChI

InChI=1S/C28H26N2O4P.2C2H4O2/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;2*1-2(3)4/h4-18H,19H2,1-3H3;2*1H3,(H,3,4)/q+1;;/p-1