1-[(E)-2-(3-nitrophenyl)-1-(4-nitrophenyl)ethenyl]pyridin-1-ium-3-ol; 2,4,6-trinitrophenolate

Systemtic Name: 1-[(E)-2-(3-nitrophenyl)-1-(4-nitrophenyl)ethenyl]pyridin-1-ium-3-ol; 2,4,6-trinitrophenolate Openeye Name: 1-[(E)-2-(3-nitrophenyl)-1-(4-nitrophenyl)vinyl]pyridin-1-ium-3-ol; 2,4,6-trinitrophenolate CAS Name: 1-[(E)-2-(3-nitrophenyl)-1-(4-nitrophenyl)ethenyl]-3-pyridin-1-iumol; 2,4,6-trinitrophenolate IUPAC Name: 1-[(E)-2-(3-nitrophenyl)-1-(4-nitrophenyl)ethenyl]pyridin-1-ium-3-ol; 2,4,6-trinitrophenolate Traditional Name: 1-[(E)-2-(3-nitrophenyl)-1-(4-nitrophenyl)vinyl]pyridin-1-ium-3-ol picrate Formula: C25H16N6O12 MolecularWeight: 592.42754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=C(C2=CC=C(C=C2)[N+](=O)[O-])[N+]3=CC=CC(=C3)O.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C(\C2=CC=C(C=C2)[N+](=O)[O-])/[N+]3=CC=CC(=C3)O.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H13N3O5.C6H3N3O7/c23-18-5-2-10-20(13-18)19(15-6-8-16(9-7-15)21(24)25)12-14-3-1-4-17(11-14)22(26)27;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-13H;1-2,10H/b19-12+;