[(Z)-2-azaniumyl-1,2-diphenyl-ethenyl]azanium; 2,4,6-trinitrophenol

Systemtic Name: [(Z)-2-azaniumyl-1,2-diphenyl-ethenyl]azanium; 2,4,6-trinitrophenol Openeye Name: [(Z)-2-azaniumyl-1,2-diphenyl-vinyl]ammonium; picric acid CAS Name: [(Z)-2-ammonio-1,2-diphenylethenyl]ammonium; 2,4,6-trinitrophenol IUPAC Name: [(Z)-2-azaniumyl-1,2-diphenylethenyl]azanium; 2,4,6-trinitrophenol Traditional Name: [(Z)-2-ammonio-1,2-diphenyl-vinyl]ammonium; picric acid Formula: C26H22N8O14+2 MolecularWeight: 670.49808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)[NH3+])[NH3+].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C(=C(\C2=CC=CC=C2)/[NH3+])/[NH3+].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H14N2.2C6H3N3O7/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-10H,15-16H2;2*1-2,10H/p+2/b14-13-;;