N1,N2-dibutyl-N1,N2-bis[2-(butylamino)ethyl]ethanediimidamide; 2,4,6-trinitrophenol

Systemtic Name: N1,N2-dibutyl-N1,N2-bis[2-(butylamino)ethyl]ethanediimidamide; 2,4,6-trinitrophenol Openeye Name: N1,N2-dibutyl-N1,N2-bis[2-(butylamino)ethyl]oxalamidine; picric acid CAS Name: N1,N2-dibutyl-N1,N2-bis[2-(butylamino)ethyl]ethanediimidamide; 2,4,6-trinitrophenol IUPAC Name: 1-N,2-N-dibutyl-1-N,2-N-bis[2-(butylamino)ethyl]ethanediimidamide; 2,4,6-trinitrophenol Traditional Name: N1,N2-dibutyl-N1,N2-bis[2-(butylamino)ethyl]oxalamidine; picric acid Formula: C28H51N9O7 MolecularWeight: 625.76064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H48N6.C6H3N3O7/c1-5-9-13-25-15-19-27(17-11-7-3)21(23)22(24)28(18-12-8-4)20-16-26-14-10-6-2;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h23-26H,5-20H2,1-4H3;1-2,10H