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Substance Name: 4-(5-(3-Carboxy-5-hydroxy-1-(4-sulphophenyl)-1H-pyrazol-4-yl)penta-2,4-dienylidene)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid
RN: 32425-62-0
InChIKey: TZPWPQHXYQGSRG-LZFSOBRNSA-N

Molecular Formula

  • C25-H18-N4-O12-S2

Molecular Weight

  • 630.565
 
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Names and Synonyms

Synonym

  • EINECS 251-031-3

Systematic Name

  • 4-(5-(3-Carboxy-5-hydroxy-1-(4-sulphophenyl)-1H-pyrazol-4-yl)penta-2,4-dienylidene)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid

Registry Numbers

CAS Registry Number

  • 32425-62-0

System Generated Number

  • 0032425620

Structure Descriptors

InChI

1S/C25H18N4O12S2/c30-22-18(20(24(32)33)26-28(22)14-6-10-16(11-7-14)42(36,37)38)4-2-1-3-5-19-21(25(34)35)27-29(23(19)31)15-8-12-17(13-9-15)43(39,40)41/h1-13,30H,(H,32,33)(H,34,35)(H,36,37,38)(H,39,40,41)/b3-1+,4-2+,19-5+

InChIKey

TZPWPQHXYQGSRG-LZFSOBRNSA-N

Smiles

c1(c(c(O)n(n1)c1ccc(S(=O)(=O)O)cc1)\C=C\C=C\C=C1/C(=NN(C1=O)c1ccc(S(=O)(=O)O)cc1)C(=O)O)C(=O)O