butan-1-amine; 2,4,6-trinitrophenol

Systemtic Name: butan-1-amine; 2,4,6-trinitrophenol Openeye Name: butan-1-amine; picric acid CAS Name: 1-butanamine; 2,4,6-trinitrophenol IUPAC Name: butan-1-amine; 2,4,6-trinitrophenol Traditional Name: butylamine; picric acid Formula: C10H14N4O7 MolecularWeight: 302.24076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H3N3O7.C4H11N/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;1-2-3-4-5/h1-2,10H;2-5H2,1H3