CHEBI:75202 - tetrazolium blue(2+)

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ChEBI Name tetrazolium blue(2+)
ChEBI ID CHEBI:75202
Definition An organic cation that is the cationic component of tetrazolium blue.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C40H32N8O2
Net Charge +2
Average Mass 656.73450
Monoisotopic Mass 656.26373
InChI InChI=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
InChIKey IPHKOIQHBLKHPT-UHFFFAOYSA-N
SMILES COc1cc(ccc1-[n+]1nc(nn1-c1ccccc1)-c1ccccc1)-c1ccc(c(OC)c1)-[n+]1nc(nn1-c1ccccc1)-c1ccccc1
ChEBI Ontology
Outgoing tetrazolium blue(2+) (CHEBI:75202) is a organic cation (CHEBI:25697)
Incoming 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)
Last Modified
14 August 2013