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Concept information

Preferred term

نیترو آبی تترازولیوم دیکلرید  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C40H30Cl2N10O6
  • C40H30N10O6.2Cl

inchi

  • InChI=1S/C40H30N10O6.2ClH/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;2*1H/q+2;;/p-2

inchikey

  • FSVCQIDHPKZJSO-UHFFFAOYSA-L

mass

  • 817.63600

monoisotopicmass

  • 816.17268

smiles

  • [Cl-].[Cl-].COc1cc(ccc1-[n+]1nc(nn1-c1ccc(cc1)[N+]([O-])=O)-c1ccccc1)-c1ccc(c(OC)c1)-[n+]1nc(nn1-c1ccc(cc1)[N+]([O-])=O)-c1ccccc1

subset

  • 3_STAR

synonym EXACT

  • 3,3'-(3,3'-dimethoxy-[1,1'-biphenyl]-4,4'-diyl)bis[2-(4-nitrophenyl)-5-phenyl-2H-tetrazol-3-ium] dichloride

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:9505

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