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Substance Name: Tetrasodium 1-(1,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-4H-pyrazol-4-ylidene)-3-(3-methyl-5-oxido-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)-1H-indene-2-carboxylate
RN: 85006-14-0
InChIKey: BWGOSYZOTOUBGP-NSXQYXDKSA-J

Molecular Formula

  • C30-H22-N4-O10-S2.4Na

Molecular Weight

  • 750.5822
 
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Names and Synonyms

Synonym

  • EINECS 285-043-5

Systematic Name

  • Tetrasodium 1-(1,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-4H-pyrazol-4-ylidene)-3-(3-methyl-5-oxido-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)-1H-indene-2-carboxylate

Registry Numbers

CAS Registry Number

  • 85006-14-0

System Generated Number

  • 0085006140

Molecular Formulas

Molecular Formula

  • C30-H22-N4-O10-S2.4Na

Molecular Formula Fragments

  • C30-H22-N4-O10-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C30H22N4O10S2.4Na/c1-15-23(28(35)33(31-15)17-7-11-19(12-8-17)45(39,40)41)25-21-5-3-4-6-22(21)26(27(25)30(37)38)24-16(2)32-34(29(24)36)18-9-13-20(14-10-18)46(42,43)44;;;;/h3-14,35H,1-2H3,(H,37,38)(H,39,40,41)(H,42,43,44);;;;/q;4*+1/p-4/b26-24+;;;;

InChIKey

BWGOSYZOTOUBGP-NSXQYXDKSA-J

Smiles

Cc1c(c(n(n1)c2ccc(cc2)S(=O)(=O)[O-])[O-])C3=C(/C(=C/4\C(=NN(C4=O)c5ccc(cc5)S(=O)(=O)[O-])C)/c6c3cccc6)C(=O)[O-].[Na+].[Na+].[Na+].[Na+]