N,N-dibutylbutan-1-amine; 2,4,6-trinitrophenol

Systemtic Name: N,N-dibutylbutan-1-amine; 2,4,6-trinitrophenol Openeye Name: N,N-dibutylbutan-1-amine; picric acid CAS Name: N,N-dibutyl-1-butanamine; 2,4,6-trinitrophenol IUPAC Name: N,N-dibutylbutan-1-amine; 2,4,6-trinitrophenol Traditional Name: picric acid; tributylamine Formula: C18H30N4O7 MolecularWeight: 414.4534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H27N.C6H3N3O7/c1-4-7-10-13(11-8-5-2)12-9-6-3;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-12H2,1-3H3;1-2,10H