N,N,N',N'-tetrabutylethane-1,2-diamine; 2,4,6-trinitrophenol

Systemtic Name: N,N,N',N'-tetrabutylethane-1,2-diamine; 2,4,6-trinitrophenol Openeye Name: picric acid; N,N,N',N'-tetrabutylethane-1,2-diamine CAS Name: N,N,N',N'-tetrabutylethane-1,2-diamine; 2,4,6-trinitrophenol IUPAC Name: N,N,N',N'-tetrabutylethane-1,2-diamine; 2,4,6-trinitrophenol Traditional Name: dibutyl-[2-(dibutylamino)ethyl]amine; picric acid Formula: C24H43N5O7 MolecularWeight: 513.62752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H40N2.C6H3N3O7/c1-5-9-13-19(14-10-6-2)17-18-20(15-11-7-3)16-12-8-4;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-18H2,1-4H3;1-2,10H