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Substance Name: Calcium 2-((4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl)-1-naphthalenesulfonate
RN: 250640-90-5
UNII: 29TUI0642S
InChIKey: YYHVCVJYTMHZLC-QUABFQRHSA-L

Molecular Weight

  • 526.5616
 
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Names and Synonyms

Name of Substance

  • Calcium 2-((4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl)-1-naphthalenesulfonate

Synonym

  • UNII-29TUI0642S

Systematic Name

  • 1-Naphthalenesulfonic acid, 2-((4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl)-,calcium salt (1:1)

Registry Numbers

CAS Registry Number

  • 250640-90-5

FDA UNII

  • 29TUI0642S

System Generated Number

  • 0250640905

Structure Descriptors

InChI

1S/C20H16N4O7S2.Ca/c1-12-18(20(25)24(23-12)14-6-4-7-15(11-14)32(26,27)28)22-21-17-10-9-13-5-2-3-8-16(13)19(17)33(29,30)31;/h2-11,18H,1H3,(H,26,27,28)(H,29,30,31);/q;+2/p-2/b22-21+;

InChIKey

YYHVCVJYTMHZLC-QUABFQRHSA-L

Smiles

CC1=NN(C(=O)C1/N=N/c2ccc3ccccc3c2S(=O)(=O)[O-])c4cccc(c4)S(=O)(=O)[O-].[Ca+2]