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

Systemtic Name: (4-carboxy-2,6-dinitro-phenyl)-octyl-dipropyl-azanium Openeye Name: (4-carboxy-2,6-dinitro-phenyl)-octyl-dipropyl-ammonium CAS Name: (4-carboxy-2,6-dinitrophenyl)-octyl-dipropylammonium IUPAC Name: (4-carboxy-2,6-dinitrophenyl)-octyl-dipropylazanium Traditional Name: (4-carboxy-2,6-dinitro-phenyl)-octyl-dipropyl-ammonium Formula: C21H34N3O6+ MolecularWeight: 424.51116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O6/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/h15-16H,4-14H2,1-3H3/p+1