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CHEBI:75202 - tetrazolium blue(2+)

ChEBI IDCHEBI:75202
ChEBI Nametetrazolium blue(2+)
Stars
DefinitionAn organic cation that is the cationic component of tetrazolium blue.
Last Modified14 August 2013
SubmitterSteve
DownloadsMolfile
FormulaC40H32N8O2
Net Charge+2
Average Mass656.750
Monoisotopic Mass656.26373
SMILESCOc1cc(-c2ccc(-[n+]3nc(-c4ccccc4)nn3-c3ccccc3)c(OC)c2)ccc1-[n+]1nc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C40H32N8O2/c1-49-37-27-31(23-25-35(37)47-43-39(29-15-7-3-8-16-29)41-45(47)33-19-11-5-12-20-33)32-24-26-36(38(28-32)50-2)48-44-40(30-17-9-4-10-18-30)42-46(48)34-21-13-6-14-22-34/h3-28H,1-2H3/q+2
InChIKeyIPHKOIQHBLKHPT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
tetrazolium blue(2+) (CHEBI:75202) is a organic cation (CHEBI:25697)
Incoming Relation(s)
tetrazolium blue (CHEBI:75198) has part tetrazolium blue(2+) (CHEBI:75202)
IUPAC Name 
3,3'-(3,3'-dimethoxybiphenyl-4,4'-diyl)bis(2,5-diphenyl-2H-tetrazol-3-ium)