2,4,6-Trinitrophenol - 2-(1-piperazinyl)ethanol (1:1)

ChemSpider ID: 226553
Molecular Formula: C₁₂H₁₇N₅O₈
Average mass: 359.292114 Da
Monoisotopic mass: 359.107727 Da
Systematic name

2,4,6-Trinitrophenol - 2-(1-piperazinyl)ethanol (1:1)
SMILES and InChIs

SMILES:

[O-][N+](=O)c1cc([N+]([O-])=O)cc([N+]([O-])=O)c1O.OCCN1CCNCC1 Copied

Std. InChI:

InChI=1S/C6H3N3O7.C6H14N2O/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;9-6-5-8-3-1-7-2-4-8/h1-2,10H;7,9H,1-6H2 Copied

Std. InChIKey:

VSHLFXLHFAYKTE-UHFFFAOYSA-N Copied
Cite this record
CSID:226553, http://www.chemspider.com/Chemical-Structure.226553.html (accessed 15:49, May 22, 2013) Copied

Names and Identifiers

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

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