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

Systemtic Name: (4-carboxy-2,6-dinitro-phenyl)-pentyl-dipropyl-azanium Openeye Name: (4-carboxy-2,6-dinitro-phenyl)-pentyl-dipropyl-ammonium CAS Name: (4-carboxy-2,6-dinitrophenyl)-pentyl-dipropylammonium IUPAC Name: (4-carboxy-2,6-dinitrophenyl)-pentyl-dipropylazanium Traditional Name: amyl-(4-carboxy-2,6-dinitro-phenyl)-dipropyl-ammonium Formula: C18H28N3O6+ MolecularWeight: 382.43142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O6/c1-4-7-8-11-21(9-5-2,10-6-3)17-15(19(24)25)12-14(18(22)23)13-16(17)20(26)27/h12-13H,4-11H2,1-3H3/p+1