(4-carboxy-2,6-dinitro-phenyl)-dimethyl-propyl-azanium

Systemtic Name: (4-carboxy-2,6-dinitro-phenyl)-dimethyl-propyl-azanium Openeye Name: (4-carboxy-2,6-dinitro-phenyl)-dimethyl-propyl-ammonium CAS Name: (4-carboxy-2,6-dinitrophenyl)-dimethyl-propylammonium IUPAC Name: (4-carboxy-2,6-dinitrophenyl)-dimethyl-propylazanium Traditional Name: (4-carboxy-2,6-dinitro-phenyl)-dimethyl-propyl-ammonium Formula: C12H16N3O6+ MolecularWeight: 298.27194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O6/c1-4-5-15(2,3)11-9(13(18)19)6-8(12(16)17)7-10(11)14(20)21/h6-7H,4-5H2,1-3H3/p+1