1-pyridin-1-ium-1-yl-3-(2,4,6-trinitrophenoxy)propan-2-ol; 2,4,6-trinitrophenolate

Systemtic Name: 1-pyridin-1-ium-1-yl-3-(2,4,6-trinitrophenoxy)propan-2-ol; 2,4,6-trinitrophenolate Openeye Name: 1-pyridin-1-ium-1-yl-3-(2,4,6-trinitrophenoxy)propan-2-ol; 2,4,6-trinitrophenolate CAS Name: 1-(1-pyridin-1-iumyl)-3-(2,4,6-trinitrophenoxy)-2-propanol; 2,4,6-trinitrophenolate IUPAC Name: 1-pyridin-1-ium-1-yl-3-(2,4,6-trinitrophenoxy)propan-2-ol; 2,4,6-trinitrophenolate Traditional Name: 1-pyridin-1-ium-1-yl-3-(2,4,6-trinitrophenoxy)propan-2-ol picrate Formula: C20H15N7O15 MolecularWeight: 593.371

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC(COC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])O.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC(COC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])O.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H13N4O8.C6H3N3O7/c19-11(8-15-4-2-1-3-5-15)9-26-14-12(17(22)23)6-10(16(20)21)7-13(14)18(24)25;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-7,11,19H,8-9H2;1-2,10H/q+1;/p-1