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2,4,6-trinitrotoluene

Properties

Image

Occurences in reactions

MNX_ID

MNXM1094296

	#reac
in my sandbox	0
in MNXref (generic)	16
in models (compartimentalized)	9

formula

C₇H₅N₃O₆

charge

mass

227.01783

reference

InChIKey

SPSSULHKWOKEEL-UHFFFAOYSA-N

InChI

InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3

SMILES

Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:46053 chebi:46053	2,4,6-trinitrotoluene 1-methyl-2,4,6-trinitrobenzene 2,4,6-TNT 2,4,6-Trinitrotoluene 2,4,6-Trinitrotoluol 2-methyl-1,3,5-trinitrobenzene TNT Trinitrotoluen Trinitrotoluol Tritol Trotyl alpha-TNT s-Trinitrotoluol s-trinitrotoluene sym-Trinitrotoluol trinitrotoluene
bigg.metabolite:tnt biggM:tnt	2 4 6 Trinitrotoluene
sabiork.compound:21124 sabiorkM:21124 envipath:...0f9c4a79b869 envipathM:...0f9c4a79b869	2,4,6-Trinitrotoluene
metacyc.compound:CPD-9138 metacycM:CPD-9138	2,4,6-trinitrotoluene TNT
kegg.compound:C16391 keggC:C16391	Trinitrotoluene 2,4,6-Trinitrotoluene
seed.compound:cpd15097 seedM:cpd15097	Trinitrotoluene 2,4,6-Trinitrotoluene 2,4,6-trinitrotoluene TNT
envipath:...78c30fb56ca6 envipathM:...78c30fb56ca6 envipath:...c142043488d2 envipathM:...c142043488d2	compound 0045162
chebi:19337 chebi:46051 biggM:M_tnt keggC:M_C16391 seedM:M_cpd15097	secondary/obsolete/fantasy identifier