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CHEBI:7586 - nitro blue tetrazolium(2+)

ChEBI IDCHEBI:7586
ChEBI Namenitro blue tetrazolium(2+)
Stars
Last Modified14 February 2011
DownloadsMolfile
FormulaC40H30N10O6
Net Charge+2
Average Mass746.744
Monoisotopic Mass746.23388
SMILESCOc1cc(-c2ccc(-[n+]3nc(-c4ccccc4)nn3-c3ccc([N+](=O)[O-])cc3)c(OC)c2)ccc1-[n+]1nc(-c2ccccc2)nn1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C40H30N10O6/c1-55-37-25-29(13-23-35(37)47-43-39(27-9-5-3-6-10-27)41-45(47)31-15-19-33(20-16-31)49(51)52)30-14-24-36(38(26-30)56-2)48-44-40(28-11-7-4-8-12-28)42-46(48)32-17-21-34(22-18-32)50(53)54/h3-26H,1-2H3/q+2
InChIKeyJPXMTWWFLBLUCD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
nitro blue tetrazolium(2+) (CHEBI:7586) is a organic cation (CHEBI:25697)
Incoming Relation(s)
nitro blue tetrazolium dichloride (CHEBI:9505) has part nitro blue tetrazolium(2+) (CHEBI:7586)
IUPAC Name 
3,3'-(3,3'-dimethoxybiphenyl-4,4'-diyl)bis[2-(4-nitrophenyl)-5-phenyl-2H-tetrazol-3-ium]
Registry NumbersSources
Beilstein:4121666Beilstein
Beilstein:3901982Beilstein