1-oxidanyl-2-(phenylmethyl)pyridin-1-ium; 2,4,6-trinitrophenolate

Systemtic Name: 1-oxidanyl-2-(phenylmethyl)pyridin-1-ium; 2,4,6-trinitrophenolate Openeye Name: 2-benzyl-1-hydroxy-pyridin-1-ium; 2,4,6-trinitrophenolate CAS Name: 1-hydroxy-2-(phenylmethyl)pyridin-1-ium; 2,4,6-trinitrophenolate IUPAC Name: 2-benzyl-1-hydroxypyridin-1-ium; 2,4,6-trinitrophenolate Traditional Name: 2-benzyl-1-hydroxy-pyridin-1-ium picrate Formula: C18H14N4O8 MolecularWeight: 414.32576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC=[N+]2O.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=[N+]2O.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H12NO.C6H3N3O7/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-9,14H,10H2;1-2,10H/q+1;/p-1