(4-carboxy-2,6-dinitro-phenyl)-diethyl-octyl-azanium

Systemtic Name: (4-carboxy-2,6-dinitro-phenyl)-diethyl-octyl-azanium Openeye Name: (4-carboxy-2,6-dinitro-phenyl)-diethyl-octyl-ammonium CAS Name: (4-carboxy-2,6-dinitrophenyl)-diethyl-octylammonium IUPAC Name: (4-carboxy-2,6-dinitrophenyl)-diethyl-octylazanium Traditional Name: (4-carboxy-2,6-dinitro-phenyl)-diethyl-octyl-ammonium Formula: C19H30N3O6+ MolecularWeight: 396.458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O6/c1-4-7-8-9-10-11-12-22(5-2,6-3)18-16(20(25)26)13-15(19(23)24)14-17(18)21(27)28/h13-14H,4-12H2,1-3H3/p+1