(4-carboxy-2,6-dinitro-phenyl)-octyl-bis(prop-2-enyl)azanium

Systemtic Name: (4-carboxy-2,6-dinitro-phenyl)-octyl-bis(prop-2-enyl)azanium Openeye Name: diallyl-(4-carboxy-2,6-dinitro-phenyl)-octyl-ammonium CAS Name: (4-carboxy-2,6-dinitrophenyl)-octyl-bis(prop-2-enyl)ammonium IUPAC Name: (4-carboxy-2,6-dinitrophenyl)-octyl-bis(prop-2-enyl)azanium Traditional Name: diallyl-(4-carboxy-2,6-dinitro-phenyl)-octyl-ammonium Formula: C21H30N3O6+ MolecularWeight: 420.4794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O6/c1-4-7-8-9-10-11-14-24(12-5-2,13-6-3)20-18(22(27)28)15-17(21(25)26)16-19(20)23(29)30/h5-6,15-16H,2-4,7-14H2,1H3/p+1