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Substance Name: Tetrahydrogen (3-((8-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulpho-2-naphthyl)azo)-4-hydroxynaphthalene-1,5-disulphonato(6-))cuprate(4-)
RN: 74587-42-1
InChIKey: CHRNBNJABIOTCE-FJISBNMDSA-L

Molecular Formula

  • C23-H10-Cl-Cu-N7-O14-S4.4H

Molecular Weight

  • 839.6616
 
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Names and Synonyms

Synonym

  • EINECS 277-933-7

Systematic Name

  • Tetrahydrogen (3-((8-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulpho-2-naphthyl)azo)-4-hydroxynaphthalene-1,5-disulphonato(6-))cuprate(4-)

Registry Numbers

CAS Registry Number

  • 74587-42-1

System Generated Number

  • 0074587421

Molecular Formulas

Molecular Formula

  • C23-H10-Cl-Cu-N7-O14-S4.4H

Molecular Formula Fragments

  • C23-H10-Cl-Cu-N7-O14-S4
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C23H16ClN7O14S4.Cu/c24-21-27-22(25)29-23(28-21)26-11-6-9(46(34,35)36)4-8-5-15(49(43,44)45)18(20(33)16(8)11)31-30-12-7-14(48(40,41)42)10-2-1-3-13(47(37,38)39)17(10)19(12)32;/h1-7,32-33H,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H3,25,26,27,28,29);/q;+2/p-2/b31-30+;

InChIKey

CHRNBNJABIOTCE-FJISBNMDSA-L

Smiles

Nc1nc(Cl)nc(Nc2cc3cc4cc5c6N=Nc7cc8c9cccc%10c9c7O[Cu-4](Oc6c24)(OS3(=O)=O)(OS5(=O)=O)(OS%10(=O)=O)OS8(=O)=O)n1