methyl-diphenyl-(2-phenylethynyl)phosphanium; 2,4,6-trinitrophenolate

Systemtic Name: methyl-diphenyl-(2-phenylethynyl)phosphanium; 2,4,6-trinitrophenolate Openeye Name: methyl-diphenyl-(2-phenylethynyl)phosphonium; 2,4,6-trinitrophenolate CAS Name: methyl-diphenyl-(2-phenylethynyl)phosphonium; 2,4,6-trinitrophenolate IUPAC Name: methyl-diphenyl-(2-phenylethynyl)phosphanium; 2,4,6-trinitrophenolate Traditional Name: methyl-diphenyl-(2-phenylethynyl)phosphonium picrate Formula: C27H20N3O7P MolecularWeight: 529.437361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18P.C6H3N3O7/c1-22(20-13-7-3-8-14-20,21-15-9-4-10-16-21)18-17-19-11-5-2-6-12-19;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-16H,1H3;1-2,10H/q+1;/p-1