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Substance Name: Chromate(7-), bis(1-(4-((3-(acetylamino)-4-(2-(4,8-disulfo-2-naphthalenyl)diazenyl)phenyl)amino)-6-((6-(2-(2-(carboxy-kappaO)phenyl)diazenyl-kappaN1)-5-(hydroxy-kappaO)-7-sulfo-2-naphthalenyl)amino)-1,3,5-triazin-2-yl)-3-carboxypyridiniumato(6-))-, sodium (1:7)
RN: 97158-56-0
InChIKey: DVLYHYWPIYQSHR-UHFFFAOYSA-D

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C88-H52-Cr-N22-O30-S6.7Na

Molecular Weight

  • 2302.8248
 
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Names and Synonyms

  • Chromate(7-), bis(1-(4-((3-(acetylamino)-4-((4,8-disulfo-2-naphthalenyl)azo)phenyl)amino)-6-((6-((2-(carboxy-kappaO)phenyl)azo-kappaN1)-5-(hydroxy-kappaO)-7-sulfo-2-naphthalenyl)amino)-1,3,5-triazin-2-yl)-3-carboxypyridiniumato(6-))-, heptasodium
  • Chromate(7-), bis(1-(4-((3-(acetylamino)-4-(2-(4,8-disulfo-2-naphthalenyl)diazenyl)phenyl)amino)-6-((6-(2-(2-(carboxy-kappaO)phenyl)diazenyl-kappaN1)-5-(hydroxy-kappaO)-7-sulfo-2-naphthalenyl)amino)-1,3,5-triazin-2-yl)-3-carboxypyridiniumato(6-))-, sodium (1:7)

Registry Numbers

CAS Registry Number

  • 97158-56-0

System Generated Number

  • 0097158560

Molecular Formulas

Molecular Formula

  • C88-H52-Cr-N22-O30-S6.7Na

Molecular Formula Fragments

  • C88-H52-Cr-N22-O30-S6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/2C44H31N11O15S3.Cr.7Na/c2*1-22(56)45-34-19-26(12-14-33(34)53-51-27-18-31-29(36(20-27)72(65,66)67)8-4-10-35(31)71(62,63)64)47-43-48-42(49-44(50-43)55-15-5-6-23(21-55)40(58)59)46-25-11-13-28-24(16-25)17-37(73(68,69)70)38(39(28)57)54-52-32-9-3-2-7-30(32)41(60)61;;;;;;;;/h2*2-21H,1H3,(H8-,45,46,47,48,49,50,51,52,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70);;;;;;;;/q;;+5;7*+1/p-10

InChIKey

DVLYHYWPIYQSHR-UHFFFAOYSA-D

Smiles

CC(=O)Nc1c\2ccc(c1)Nc3nc-4nc(n3)Nc5cc6c(c7c\8c(c6)S(=O)(=O)O[Cr-7]9136%10%11(O7)(OS(=O)(=O)c7c%12c(c(ccc%12)S(=O)(=O)O9)cc(c7)/N=N/c7c(cc(cc7)Nc7nc(nc(n7)Nc7cc9c(c(c(c(c9)S(=O)(=O)O1)/N=N/c1c(cccc1)C(=O)O3)O6)cc7)-[n+]1cc(ccc1)C(=O)O%10)NC(=O)C)(OS(=O)(=O)c1c3c(c(ccc3)S(=O)(=O)O%11)cc(c1)/N=N2)(OC(=O)c1c(cccc1)/N=N8)OC(=O)c1c[n+]4ccc1)cc5.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]