3,4-dinitrobenzoate; N-hexyloctan-1-amine

Systemtic Name: 3,4-dinitrobenzoate; N-hexyloctan-1-amine Openeye Name: 3,4-dinitrobenzoate; N-hexyloctan-1-amine CAS Name: 3,4-dinitrobenzoate; N-hexyl-1-octanamine IUPAC Name: 3,4-dinitrobenzoate; N-hexyloctan-1-amine Traditional Name: 3,4-dinitrobenzoate; hexyl(octyl)amine Formula: C21H34N3O6- MolecularWeight: 424.51116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNCCCCCC.C1=CC(=C(C=C1C(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCNCCCCCC.C1=CC(=C(C=C1C(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H31N.C7H4N2O6/c1-3-5-7-9-10-12-14-15-13-11-8-6-4-2;10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h15H,3-14H2,1-2H3;1-3H,(H,10,11)/p-1