2,4,6-trinitrophenolate; 2,4,6-triphenyl-3H-1,2,4,5-tetrazin-2-ium

Systemtic Name: 2,4,6-trinitrophenolate; 2,4,6-triphenyl-3H-1,2,4,5-tetrazin-2-ium Openeye Name: 2,4,6-trinitrophenolate; 2,4,6-triphenyl-3H-1,2,4,5-tetrazin-2-ium CAS Name: 2,4,6-trinitrophenolate; 2,4,6-triphenyl-3H-1,2,4,5-tetrazin-2-ium IUPAC Name: 2,4,6-trinitrophenolate; 2,4,6-triphenyl-3H-1,2,4,5-tetrazin-2-ium Traditional Name: 2,4,6-triphenyl-3H-1,2,4,5-tetrazin-2-ium picrate Formula: C26H19N7O7 MolecularWeight: 541.47176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1N(N=C(N=[N+]1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1N(N=C(N=[N+]1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H17N4.C6H3N3O7/c1-4-10-17(11-5-1)20-21-23(18-12-6-2-7-13-18)16-24(22-20)19-14-8-3-9-15-19;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-15H,16H2;1-2,10H/q+1;/p-1