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Substance Name: Trisodium 7-hydroxy-8-((4-(1-(4-((1-hydroxy-4-sulphonato-2-naphthyl)azo)phenyl)cyclohexyl)phenyl)azo)naphthalene-1,3-disulphonate
RN: 6507-78-4
InChIKey: NWOFPTMLQCEISY-IZOAXSFUSA-K

Molecular Formula

  • C38-H32-N4-O11-S3.3Na

Molecular Weight

  • 882.8321
 
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Names and Synonyms

Synonym

  • EINECS 229-397-0

Systematic Name

  • Trisodium 7-hydroxy-8-((4-(1-(4-((1-hydroxy-4-sulphonato-2-naphthyl)azo)phenyl)cyclohexyl)phenyl)azo)naphthalene-1,3-disulphonate

Registry Numbers

CAS Registry Number

  • 6507-78-4

System Generated Number

  • 0006507784

Molecular Formulas

Molecular Formula

  • C38-H32-N4-O11-S3.3Na

Molecular Formula Fragments

  • C38-H32-N4-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C38H32N4O11S3.3Na/c43-32-17-8-23-20-28(54(45,46)47)21-34(56(51,52)53)35(23)36(32)42-40-27-15-11-25(12-16-27)38(18-4-1-5-19-38)24-9-13-26(14-10-24)39-41-31-22-33(55(48,49)50)29-6-2-3-7-30(29)37(31)44;;;/h2-3,6-17,20-22,43-44H,1,4-5,18-19H2,(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3/b41-39+,42-40+;;;

InChIKey

NWOFPTMLQCEISY-IZOAXSFUSA-K

Smiles

c1ccc2c(c1)c(cc(c2O)/N=N/c3ccc(cc3)C4(CCCCC4)c5ccc(cc5)/N=N/c6c(ccc7c6c(cc(c7)S(=O)(=O)[O-])S(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]