(4-oxidanylidene-2-phenyl-chromen-3-yl)azanium; 2,4,6-trinitrophenolate

Systemtic Name: (4-oxidanylidene-2-phenyl-chromen-3-yl)azanium; 2,4,6-trinitrophenolate Openeye Name: (4-oxo-2-phenyl-chromen-3-yl)ammonium; 2,4,6-trinitrophenolate CAS Name: (4-oxo-2-phenyl-1-benzopyran-3-yl)ammonium; 2,4,6-trinitrophenolate IUPAC Name: (4-oxo-2-phenylchromen-3-yl)azanium; 2,4,6-trinitrophenolate Traditional Name: (4-keto-2-phenyl-chromen-3-yl)ammonium picrate Formula: C21H14N4O9 MolecularWeight: 466.35726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)[NH3+].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)[NH3+].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H11NO2.C6H3N3O7/c16-13-14(17)11-8-4-5-9-12(11)18-15(13)10-6-2-1-3-7-10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-9H,16H2;1-2,10H