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Substance Name: 4,5-Dihydro-5-oxo-4-((4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid
RN: 10149-98-1
InChIKey: ZDISUHHECSVSMD-FMQUCBEESA-N

Molecular Formula

  • C18-H16-N4-O12-S3

Molecular Weight

  • 576.538
 
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Names and Synonyms

Synonym

  • EINECS 233-418-9

Systematic Name

  • 4,5-Dihydro-5-oxo-4-((4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid

Registry Numbers

CAS Registry Number

  • 10149-98-1

System Generated Number

  • 0010149981

Structure Descriptors

InChI

1S/C18H16N4O12S3/c23-17-15(16(18(24)25)21-22(17)12-3-7-14(8-4-12)36(28,29)30)20-19-11-1-5-13(6-2-11)35(26,27)10-9-34-37(31,32)33/h1-8,15H,9-10H2,(H,24,25)(H,28,29,30)(H,31,32,33)/b20-19+

InChIKey

ZDISUHHECSVSMD-FMQUCBEESA-N

Smiles

O=C(O)C1=NN(C(=O)[C@@H]1\N=N\c1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1)c1ccc(S(=O)(=O)O)cc1