(2-phenethylphenyl)azanium; 2,4,6-trinitrophenolate

Systemtic Name: (2-phenethylphenyl)azanium; 2,4,6-trinitrophenolate Openeye Name: (2-phenethylphenyl)ammonium; 2,4,6-trinitrophenolate CAS Name: (2-phenethylphenyl)ammonium; 2,4,6-trinitrophenolate IUPAC Name: (2-phenethylphenyl)azanium; 2,4,6-trinitrophenolate Traditional Name: (2-phenethylphenyl)ammonium picrate Formula: C20H18N4O7 MolecularWeight: 426.37952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC=CC=C2[NH3+].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC=CC=C2[NH3+].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H15N.C6H3N3O7/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-9H,10-11,15H2;1-2,10H