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CHEBI:231448 - 4-methyl-1,3,5-trinitrocyclohexa-2,4-dien-1-ide

ChEBI IDCHEBI:231448
ChEBI Name4-methyl-1,3,5-trinitrocyclohexa-2,4-dien-1-ide
Stars
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC7H6N3O6
Net Charge-1
Average Mass228.140
Monoisotopic Mass228.02621
SMILESCC1=C([N+](=O)[O-])C[C-]([N+](=O)[O-])C=C1[N+](=O)[O-]
InChIInChI=1S/C7H6N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2H,3H2,1H3/q-1
InChIKeyRAFGJLKEYPUFEQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-methyl-1,3,5-trinitrocyclohexa-2,4-dien-1-ide (CHEBI:231448) is a nitrotoluene (CHEBI:25566)
Synonyms  Source
TNT hydride-Meisenheimer complexSUBMITTER
H(-)-TNTSUBMITTER
UniProt Name  Source
4-methyl-1,3,5-trinitrocyclohexa-2,4-dien-1-ideUniProt
Citations