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Substance Name: 1H-Imidazo(4,5-b)quinoxalinium, 6-chloro-2-(3-(6-chloro-1,3-diphenyl-2H-imidazo(4,5-b)quinoxalin-2-ylidene)-1-propeny l)-1,3-diphenyl-, salt with 4-methylbenzenesulfonic acid (1:1)
RN: 25980-26-1
InChIKey: DFXBFHRDNXGWAD-YKKRWWTFSA-N

Molecular Formula

  • C45-H29-Cl2-N8.C7-H7-O3-S

Molecular Weight

  • 925.897
 
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Names and Synonyms

Synonym

  • 6-Chloro-2-(3-(6-chloro-1,3-diphenyl-2H-imidazo(4,5-b)quinoxalin-2-ylidene)-1-propeny l)-1,3-diphenyl-1H-imidazo(4,5-b)quinoxalinium salt with 4-methylbenzenesulfonic acid (1:1)

Systematic Name

  • 1H-Imidazo(4,5-b)quinoxalinium, 6-chloro-2-(3-(6-chloro-1,3-diphenyl-2H-imidazo(4,5-b)quinoxalin-2-ylidene)-1-propeny l)-1,3-diphenyl-, salt with 4-methylbenzenesulfonic acid (1:1)

Registry Numbers

CAS Registry Number

  • 25980-26-1

System Generated Number

  • 0025980261

Molecular Formulas

Molecular Formula

  • C45-H29-Cl2-N8.C7-H7-O3-S

Molecular Formula Fragments

  • C45-H29-Cl2-N8
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C45H30Cl2N8.C7H8O3S/c46-30-24-26-36-38(28-30)50-44-42(48-36)52(32-14-5-1-6-15-32)40(54(44)34-18-9-3-10-19-34)22-13-23-41-53(33-16-7-2-8-17-33)43-45(55(41)35-20-11-4-12-21-35)51-39-29-31(47)25-27-37(39)49-43;1-6-2-4-7(5-3-6)11(8,9)10/h1-29,40H;2-5H,1H3,(H,8,9,10)/b22-13+,41-23-;

InChIKey

DFXBFHRDNXGWAD-YKKRWWTFSA-N

Smiles

c1(N2C(\N(c3nc4ccc(cc4nc23)Cl)c2ccccc2)=C\C=C\[C@@H]2N(c3[n+]c4ccc(Cl)cc4nc3N2c2ccccc2)c2ccccc2)ccccc1.c1(ccc(cc1)C)S(=O)(=O)[O-]