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Substance Name: 1,5-Naphthalenedisulfonic acid, 2-(2-(4,5-dihydro-3-methyl-5-oxo-1-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)-1H-pyrazol-4-yl)diazenyl)-
RN: 5557-16-4
InChIKey: HSLDAOIDTZYRAD-WCWDXBQESA-N

Molecular Formula

  • C22-H20-N4-O13-S4

Molecular Weight

  • 676.679
 
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Names and Synonyms

Synonyms

  • 2-((4,5-Dihydro-3-methyl-5-oxo-1-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)-1H-pyrazol-4-yl)azo)-1,5-naphthalenedisulfonic acid
  • EINECS 226-919-9

Systematic Names

  • 1,5-Naphthalenedisulfonic acid, 2-((4,5-dihydro-3-methyl-5-oxo-1-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)-1H-pyrazol-4-yl)azo)-
  • 1,5-Naphthalenedisulfonic acid, 2-(2-(4,5-dihydro-3-methyl-5-oxo-1-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)-1H-pyrazol-4-yl)diazenyl)-
  • 2-((4,5-Dihydro-3-methyl-5-oxo-1-(4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)-1H-pyrazol-4-yl)azo)naphthalene-1,5-disulphonic acid

Registry Numbers

CAS Registry Number

  • 5557-16-4

Other Registry Numbers

  • 101297-61-4
  • 52683-88-2
  • 848171-07-3

System Generated Number

  • 0005557164

Structure Descriptors

InChI

1S/C22H20N4O13S4/c1-13-20(22(27)26(25-13)14-5-7-15(8-6-14)40(28,29)12-11-39-43(36,37)38)24-23-18-10-9-16-17(21(18)42(33,34)35)3-2-4-19(16)41(30,31)32/h2-10,20H,11-12H2,1H3,(H,30,31,32)(H,33,34,35)(H,36,37,38)/b24-23+

InChIKey

HSLDAOIDTZYRAD-WCWDXBQESA-N

Smiles

C(S(=O)(=O)c1ccc(N2N=C([C@@H](C2=O)\N=N\c2ccc3c(cccc3S(=O)(=O)O)c2S(=O)(=O)O)C)cc1)COS(=O)(=O)O