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Substance Name: C.I. Reactive Violet 5
RN: 12226-38-9
InChIKey: URJOZJDEANKXFC-VBJZDLSPSA-I

Note

  • TSCA Definition 2017: This substance is identified in the COLOUR INDEX by Colour Index Constitution Number, C.I. 18097.

Molecular Formula

  • Unspecified

Molecular Weight

  • 799.1324
 
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Names and Synonyms

Name of Substance

  • C.I. Reactive Violet 5

Synonym

  • EINECS 235-434-1

Systematic Name

  • C.I. Reactive Violet 5

Registry Numbers

CAS Registry Number

  • 12226-38-9

Other Registry Numbers

  • 127274-53-7
  • 69121-18-2
  • 95145-52-1

System Generated Number

  • 0012226389

Structure Descriptors

InChI

1S/C20H21N3O15S4.Cu.3Na/c1-10(24)21-15-8-13(40(29,30)31)6-11-7-17(41(32,33)34)19(20(26)18(11)15)23-22-14-3-2-12(9-16(14)25)39(27,28)5-4-38-42(35,36)37;;;;/h2-3,6-9,11,18,25-26H,4-5H2,1H3,(H,21,24)(H,29,30,31)(H,32,33,34)(H,35,36,37);;;;/q;+2;3*+1/p-5/b23-22+;;;;

InChIKey

URJOZJDEANKXFC-VBJZDLSPSA-I

Smiles

c1(S(=O)(=O)CCOS(=O)(=O)[O-])cc2O[Cu]OC3=C(N=Nc2cc1)C(=C[C@@H]1[C@@H]3C(=CC(=C1)S(=O)(=O)[O-])NC(=O)C)S(=O)(=O)[O-].[Na+].[Na+].[Na+]