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

Systemtic Name: N-butyloctan-1-amine; 3,4-dinitrobenzoate Openeye Name: N-butyloctan-1-amine; 3,4-dinitrobenzoate CAS Name: N-butyl-1-octanamine; 3,4-dinitrobenzoate IUPAC Name: N-butyloctan-1-amine; 3,4-dinitrobenzoate Traditional Name: butyl(octyl)amine; 3,4-dinitrobenzoate Formula: C19H30N3O6- MolecularWeight: 396.458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H27N.C7H4N2O6/c1-3-5-7-8-9-10-12-13-11-6-4-2;10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h13H,3-12H2,1-2H3;1-3H,(H,10,11)/p-1