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CHEBI:231449 - 2-methyl-1,3,5-trinitrocyclohex-2-en-1-ide

ChEBI IDCHEBI:231449
ChEBI Name2-methyl-1,3,5-trinitrocyclohex-2-en-1-ide
Stars
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC7H8N3O6
Net Charge-1
Average Mass230.156
Monoisotopic Mass230.04186
SMILESCC1=C([N+](=O)[O-])CC([N+](=O)[O-])C[C-]1[N+](=O)[O-]
InChIInChI=1S/C7H8N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h5H,2-3H2,1H3/q-1
InChIKeyXFAYKCWYJZILOY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-methyl-1,3,5-trinitrocyclohex-2-en-1-ide (CHEBI:231449) is a nitrotoluene (CHEBI:25566)
Synonyms  Source
TNT dihydride-Meisenheimer complexSUBMITTER
2H(-)-TNTSUBMITTER
UniProt Name  Source
2-methyl-1,3,5-trinitrocyclohex-2-en-1-ideUniProt
Citations