phenylazanium; 2,4,6-trinitrophenolate

Systemtic Name: phenylazanium; 2,4,6-trinitrophenolate Openeye Name: phenylammonium; 2,4,6-trinitrophenolate CAS Name: phenylammonium; 2,4,6-trinitrophenolate IUPAC Name: phenylazanium; 2,4,6-trinitrophenolate Traditional Name: phenylammonium picrate Formula: C12H10N4O7 MolecularWeight: 322.2304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H3N3O7.C6H7N/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;7-6-4-2-1-3-5-6/h1-2,10H;1-5H,7H2