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Substance Name: 4-(3-(3-Carboxy-5-hydroxy-1-(4-sulphophenyl)-1H-pyrazol-4-yl)allylidene)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid
RN: 32425-63-1
InChIKey: DUAPFKKDEHBNEJ-ZBXWISFFSA-N

Molecular Formula

  • C23-H16-N4-O12-S2

Molecular Weight

  • 604.527
 
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Names and Synonyms

Synonym

  • EINECS 251-032-9

Systematic Name

  • 4-(3-(3-Carboxy-5-hydroxy-1-(4-sulphophenyl)-1H-pyrazol-4-yl)allylidene)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid

Registry Numbers

CAS Registry Number

  • 32425-63-1

System Generated Number

  • 0032425631

Structure Descriptors

InChI

1S/C23H16N4O12S2/c28-20-16(18(22(30)31)24-26(20)12-4-8-14(9-5-12)40(34,35)36)2-1-3-17-19(23(32)33)25-27(21(17)29)13-6-10-15(11-7-13)41(37,38)39/h1-11,28H,(H,30,31)(H,32,33)(H,34,35,36)(H,37,38,39)/b2-1+,17-3+

InChIKey

DUAPFKKDEHBNEJ-ZBXWISFFSA-N

Smiles

c1(c(nn(c1O)c1ccc(S(=O)(=O)O)cc1)C(=O)O)\C=C\C=C1/C(=NN(C1=O)c1ccc(S(=O)(=O)O)cc1)C(=O)O