Tetranitro Blue Tetrazolium

CAS Registry Number®

1184-43-6

CAS Name

Tetranitro Blue Tetrazolium

Molecular Formula

C40H28N12O10.2Cl

Cite this Page

Tetranitro Blue Tetrazolium.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=42798-98-1 (retrieved 2024-11-24) (CAS RN: 1184-43-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H28N12O10.2ClH/c1-61-37-23-27(7-21-35(37)47-43-39(25-3-9-31(10-4-25)49(53)54)41-45(47)29-13-17-33(18-14-29)51(57)58)28-8-22-36(38(24-28)62-2)48-44-40(26-5-11-32(12-6-26)50(55)56)42-46(48)30-15-19-34(20-16-30)52(59)60;;/h3-24H,1-2H3;2*1H/q+2;;/p-2

InChIKey

InChIKey=VCESGVLABVSDRO-UHFFFAOYSA-L

SMILES

O(C)C1=C(N2[N+](=NC(=N2)C3=CC=C(N(=O)=O)C=C3)C4=CC=C(N(=O)=O)C=C4)C=CC(=C1)C5=CC(OC)=C(C=C5)N6[N+](=NC(=N6)C7=CC=C(N(=O)=O)C=C7)C8=CC=C(N(=O)=O)C=C8.[Cl-]

Canonical SMILES

[Cl-].O=N(=O)C=1C=CC(=CC1)C2=NN(C3=CC=C(C=C3OC)C=4C=CC(=C(OC)C4)N5N=C(N=[N+]5C=6C=CC(=CC6)N(=O)=O)C=7C=CC(=CC7)N(=O)=O)[N+](=N2)C=8C=CC(=CC8)N(=O)=O

Other Names for this Substance

  • 2H-Tetrazolium, 2,2′-(3,3′-dimethoxy[1,1′-biphenyl]-4,4′-diyl)bis[3,5-bis(4-nitrophenyl)-, chloride (1:2)
  • [3,3′-(3,3′-Dimethoxy-4,4′-biphenylylene)bis[2,5-bis(p-nitrophenyl)-2H-tetrazolium chloride]]
  • 2H-Tetrazolium, 3,3′-(3,3′-dimethoxy-4,4′-biphenylylene)bis[2,5-bis(p-nitrophenyl)-, dichloride
  • 2H-Tetrazolium, 2,2′-(3,3′-dimethoxy[1,1′-biphenyl]-4,4′-diyl)bis[3,5-bis(4-nitrophenyl)-, dichloride
  • 2,2′,5,5′-Tetrakis-p-(nitrophenyl)-3,3′-bis(3,3′-dimethoxy-4,4′-diphenylene)ditetrazolium chloride

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Deleted or Replaced CAS Registry Numbers

106413-49-4, 42798-98-1, 56862-97-6

CAS INSIGHTSTM
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