N'-butylpropane-1,3-diamine; 2,4,6-trinitrophenol

Systemtic Name: N'-butylpropane-1,3-diamine; 2,4,6-trinitrophenol Openeye Name: N'-butylpropane-1,3-diamine; picric acid CAS Name: N'-butylpropane-1,3-diamine; 2,4,6-trinitrophenol IUPAC Name: N'-butylpropane-1,3-diamine; 2,4,6-trinitrophenol Traditional Name: 3-aminopropyl(butyl)amine; picric acid Formula: C13H21N5O7 MolecularWeight: 359.33514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCCN.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCNCCCN.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H18N2.C6H3N3O7/c1-2-3-6-9-7-4-5-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h9H,2-8H2,1H3;1-2,10H