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CHEBI:749190 - neotetrazolium

Default Structure
ChEBI IDCHEBI:749190
ChEBI Nameneotetrazolium
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC38H28N8
Net Charge+2
Average Mass596.698
Monoisotopic Mass596.24260
SMILESc1ccc(-c2nn(-c3ccccc3)[n+](-c3ccc(-c4ccc(-[n+]5nc(-c6ccccc6)nn5-c5ccccc5)cc4)cc3)n2)cc1
InChIInChI=1S/C38H28N8/c1-5-13-31(14-6-1)37-39-43(33-17-9-3-10-18-33)45(41-37)35-25-21-29(22-26-35)30-23-27-36(28-24-30)46-42-38(32-15-7-2-8-16-32)40-44(46)34-19-11-4-12-20-34/h1-28H/q+2
InChIKeyJUJXXOZULQHOGI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
neotetrazolium (CHEBI:749190) is a benzenes (CHEBI:22712)