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Substance Name: Trisodium 4-((3-((3-(4,5-dihydro-3-methyl-5-oxo-4-((4-sulphonatophenyl)azo)-1H-pyrazol-1-yl)phenyl)azo)-2,4-dihydroxyphenyl)azo)-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate
RN: 85631-86-3
InChIKey: OUOXBRUBQVVMAO-PJZWQKGTSA-K

Molecular Formula

  • C38-H28-N10-O13-S3.3Na

Molecular Weight

  • 994.8405
 
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Names and Synonyms

Synonym

  • EINECS 288-036-5

Systematic Name

  • Trisodium 4-((3-((3-(4,5-dihydro-3-methyl-5-oxo-4-((4-sulphonatophenyl)azo)-1H-pyrazol-1-yl)phenyl)azo)-2,4-dihydroxyphenyl)azo)-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate

Registry Numbers

CAS Registry Number

  • 85631-86-3

System Generated Number

  • 0085631863

Molecular Formulas

Molecular Formula

  • C38-H28-N10-O13-S3.3Na

Molecular Formula Fragments

  • C38-H28-N10-O13-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C38H28N10O13S3.3Na/c1-20-33(44-40-23-10-12-26(13-11-23)62(53,54)55)38(52)48(47-20)25-9-5-8-24(18-25)41-45-34-30(49)15-14-28(36(34)50)42-43-29-19-27(63(56,57)58)16-21-17-31(64(59,60)61)35(37(51)32(21)29)46-39-22-6-3-2-4-7-22;;;/h2-19,33,49-51H,1H3,(H,53,54,55)(H,56,57,58)(H,59,60,61);;;/q;3*+1/p-3/b43-42+,44-40+,45-41+,46-39+;;;

InChIKey

OUOXBRUBQVVMAO-PJZWQKGTSA-K

Smiles

N1(C(=O)C(C(=N1)C)/N=N/c1ccc(S(=O)(=O)[O-])cc1)c1cc(/N=N/c2c(c(/N=N/c3c4c(c(c(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])c3)/N=N/c3ccccc3)O)ccc2O)O)ccc1.[Na+].[Na+].[Na+]