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Substance Name: Pentahydrogen bis(4-hydroxy-6-((2-hydroxy-5-methylphenyl)azo)-3-((2-hydroxy-5-nitro-3-sulphophenyl)azo)naphthalene-2-sulphonato(4-))chromate(5-)
RN: 68201-73-0
InChIKey: WMLOJTJMBYXGDV-DCMISMTKSA-K

Molecular Formula

  • C46-H26-Cr-N10-O22-S4.5H

Molecular Weight

  • 1256.0589
 
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Names and Synonyms

Synonym

  • EINECS 269-233-5

Systematic Name

  • Pentahydrogen bis(4-hydroxy-6-((2-hydroxy-5-methylphenyl)azo)-3-((2-hydroxy-5-nitro-3-sulphophenyl)azo)naphthalene-2-sulphonato(4-))chromate(5-)

Registry Numbers

CAS Registry Number

  • 68201-73-0

System Generated Number

  • 0068201730

Molecular Formulas

Molecular Formula

  • C46-H26-Cr-N10-O22-S4.5H

Molecular Formula Fragments

  • C46-H26-Cr-N10-O22-S4
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/2C23H17N5O11S2.Cr/c2*1-11-2-5-18(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;/h2*2-10,29-31H,1H3,(H,34,35,36)(H,37,38,39);/q;;+3/p-3/b2*25-24+,27-26+;

InChIKey

WMLOJTJMBYXGDV-DCMISMTKSA-K

Smiles

[H+].[H+].[H+].[H+].[H+].Cc1cc(c(cc1)O)/N=N/c2cc3c4c\5c(cc3cc2)S(=O)(=O)O[Cr-5]6789(O4)(OS(=O)(=O)c1c(c(cc(c1)[N+](=O)[O-])/N=N/c1c(c2c(cc1S(=O)(=O)O6)ccc(c2)/N=N/c1c(ccc(c1)C)O)O7)O8)OS(=O)(=O)c1c(c(cc(c1)[N+](=O)[O-])/N=N5)O9