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Substance Name: Tetrasodium hydrogen bis(4-((6-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulpho-2-naphthyl)azo)-3-hydroxy-7-nitronaphthalene-1-sulphonato(4-))chromate(5-)
RN: 94021-52-0
InChIKey: HBGDMUDOUCXHMF-FWDROWLLSA-G

Molecular Formula

  • C46-H22-Cl2-Cr-N16-O20-S4.H.4Na

Molecular Weight

  • 1462.9057
 
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Names and Synonyms

Synonym

  • EINECS 301-446-1

Systematic Name

  • Tetrasodium hydrogen bis(4-((6-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulpho-2-naphthyl)azo)-3-hydroxy-7-nitronaphthalene-1-sulphonato(4-))chromate(5-)

Registry Numbers

CAS Registry Number

  • 94021-52-0

System Generated Number

  • 0094021520

Molecular Formulas

Molecular Formula

  • C46-H22-Cl2-Cr-N16-O20-S4.H.4Na

Molecular Formula Fragments

  • C46-H22-Cl2-Cr-N16-O20-S4
  • COMPONENT
  • H
  • Na

Structure Descriptors

InChI

1S/2C23H15ClN8O10S2.Cr.4Na/c2*24-21-27-22(25)29-23(28-21)26-10-1-3-12-9(5-10)6-17(44(40,41)42)19(20(12)34)31-30-18-13-4-2-11(32(35)36)7-14(13)16(8-15(18)33)43(37,38)39;;;;;/h2*1-8,33-34H,(H,37,38,39)(H,40,41,42)(H3,25,26,27,28,29);;;;;/q;;+3;4*+1/p-7/b2*31-30+;;;;;

InChIKey

HBGDMUDOUCXHMF-FWDROWLLSA-G

Smiles

[H+].c1c(cc2c(c1)c3c\4c(c2)S(=O)(=O)O[Cr-5]5678(O3)(OS(=O)(=O)c9c1c(c(c(c9)O5)/N=N4)ccc(c1)[N+](=O)[O-])OS(=O)(=O)c1c2c(c(c(c1)O6)/N=N/c1c(c3c(cc1S(=O)(=O)O7)cc(cc3)Nc1nc(nc(n1)N)Cl)O8)ccc(c2)[N+](=O)[O-])Nc1nc(nc(n1)N)Cl.[Na+].[Na+].[Na+].[Na+]