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Substance Name: Chromate(5-), (6-(acetylamino)-4-hydroxy-3-((2-hydroxy-5-nitro-3-sulfophenyl)azo)-2-naphthalenesulfonato(4-))(4-hydroxy-6-((2-hydroxy-5-methylphenyl)azo)-3-((2-hydroxy-5-nitro-3-sulfophenyl)azo)-2-naphthalenesulfonato(4-))-, pentahydrogen
RN: 68912-09-4
InChIKey: WCNGBMMMLQOMHP-RZJWWAPDSA-K

Molecular Formula

  • C41-H23-Cr-N9-O22-S4.5H

Molecular Weight

  • 1178.9732
 
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Names and Synonyms

Synonym

  • EINECS 272-801-5

Systematic Name

  • Chromate(5-), (6-(acetylamino)-4-hydroxy-3-((2-hydroxy-5-nitro-3-sulfophenyl)azo)-2-naphthalenesulfonato(4-))(4-hydroxy-6-((2-hydroxy-5-methylphenyl)azo)-3-((2-hydroxy-5-nitro-3-sulfophenyl)azo)-2-naphthalenesulfonato(4-))-, pentahydrogen

Registry Numbers

CAS Registry Number

  • 68912-09-4

System Generated Number

  • 0068912094

Molecular Formulas

Molecular Formula

  • C41-H23-Cr-N9-O22-S4.5H

Molecular Formula Fragments

  • C41-H23-Cr-N9-O22-S4
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C23H17N5O11S2.C18H14N4O11S2.Cr/c1-11-2-5-18(29)16(6-11)25-24-13-4-3-12-7-19(40(34,35)36)21(22(30)15(12)8-13)27-26-17-9-14(28(32)33)10-20(23(17)31)41(37,38)39;1-8(23)19-10-3-2-9-4-14(34(28,29)30)16(17(24)12(9)5-10)21-20-13-6-11(22(26)27)7-15(18(13)25)35(31,32)33;/h2-10,29-31H,1H3,(H,34,35,36)(H,37,38,39);2-7,24-25H,1H3,(H,19,23)(H,28,29,30)(H,31,32,33);/q;;+3/p-3/b25-24+,27-26+;21-20+;

InChIKey

WCNGBMMMLQOMHP-RZJWWAPDSA-K

Smiles

[H+].[H+].[H+].[H+].[H+].Cc1ccc2c(c1)/N=N/c3ccc4cc5c\6c(c4c3)O[Cr-5]789(O2)(Oc1c2cc(ccc2cc(c1/N=N/c1cc(cc(c1O7)S(=O)(=O)O8)[N+](=O)[O-])S(=O)(=O)O9)NC(=O)C)(OS5(=O)=O)OS(=O)(=O)c1cc(cc(c1O)/N=N6)[N+](=O)[O-]