(4-carboxy-1,2-dinitro-cyclohexa-2,4-dien-1-yl)-bis(prop-2-enyl)-propyl-azanium

Systemtic Name: (4-carboxy-1,2-dinitro-cyclohexa-2,4-dien-1-yl)-bis(prop-2-enyl)-propyl-azanium Openeye Name: diallyl-(4-carboxy-1,2-dinitro-cyclohexa-2,4-dien-1-yl)-propyl-ammonium CAS Name: (4-carboxy-1,2-dinitro-1-cyclohexa-2,4-dienyl)-bis(prop-2-enyl)-propylammonium IUPAC Name: (4-carboxy-1,2-dinitrocyclohexa-2,4-dien-1-yl)-bis(prop-2-enyl)-propylazanium Traditional Name: diallyl-(4-carboxy-1,2-dinitro-cyclohexa-2,4-dien-1-yl)-propyl-ammonium Formula: C16H22N3O6+ MolecularWeight: 352.36238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O6/c1-4-9-19(10-5-2,11-6-3)16(18(24)25)8-7-13(15(20)21)12-14(16)17(22)23/h4-5,7,12H,1-2,6,8-11H2,3H3/p+1