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Substance Name: Disodium hydrogen 4,5-dihydro-4-((4-(((2-methoxy-5-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)amino)carbonyl)phenyl)azo)-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate
RN: 84145-46-0
InChIKey: HHOMIDGEOXUFNT-NTDCDQSISA-L

Molecular Formula

  • C26-H23-N5-O14-S3.2Na

Molecular Weight

  • 769.6509
 
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Names and Synonyms

Synonym

  • EINECS 282-273-8

Systematic Name

  • Disodium hydrogen 4,5-dihydro-4-((4-(((2-methoxy-5-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)amino)carbonyl)phenyl)azo)-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate

Registry Numbers

CAS Registry Number

  • 84145-46-0

System Generated Number

  • 0084145460

Molecular Formulas

Molecular Formula

  • C26-H23-N5-O14-S3.2Na

Molecular Formula Fragments

  • C26-H23-N5-O14-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H23N5O14S3.2Na/c1-44-21-11-10-19(46(36,37)13-12-45-48(41,42)43)14-20(21)27-24(32)15-2-4-16(5-3-15)28-29-22-23(26(34)35)30-31(25(22)33)17-6-8-18(9-7-17)47(38,39)40;;/h2-11,14,22H,12-13H2,1H3,(H,27,32)(H,34,35)(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2/b29-28+;;

InChIKey

HHOMIDGEOXUFNT-NTDCDQSISA-L

Smiles

COc1ccc(cc1NC(=O)c2ccc(cc2)/N=N/C3C(=NN(C3=O)c4ccc(cc4)S(=O)(=O)[O-])C(=O)O)S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+]