tris[(4-methylphenyl)amino]-[(2-nitrophenyl)amino]phosphanium chloride

Systemtic Name: tris[(4-methylphenyl)amino]-[(2-nitrophenyl)amino]phosphanium chloride Openeye Name: tris(4-methylanilino)-(2-nitroanilino)phosphonium chloride CAS Name: tris(4-methylanilino)-(2-nitroanilino)phosphonium chloride IUPAC Name: tris(4-methylanilino)-(2-nitroanilino)phosphanium chloride Traditional Name: (2-nitroanilino)-tris(p-toluidino)phosphonium chloride Formula: C27H29ClN5O2P MolecularWeight: 521.978221

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N[P+](NC2=CC=C(C=C2)C)(NC3=CC=C(C=C3)C)NC4=CC=CC=C4[N+](=O)[O-].[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)N[P+](NC2=CC=C(C=C2)C)(NC3=CC=C(C=C3)C)NC4=CC=CC=C4[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C27H29N5O2P.ClH/c1-20-8-14-23(15-9-20)28-35(29-24-16-10-21(2)11-17-24,30-25-18-12-22(3)13-19-25)31-26-6-4-5-7-27(26)32(33)34;/h4-19,28-31H,1-3H3;1H/q+1;/p-1