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Substance Name: Trisodium 5-((3-carboxylato-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichlorophenyl)methyl)-2-oxido-3-methylbenzoate
RN: 28546-93-2
InChIKey: HUCLZETWCAHAKK-MLUUKTGYSA-K

Molecular Formula

  • C23-H16-Cl2-O6.3Na

Molecular Weight

  • 525.2257
 
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Names and Synonyms

Synonym

  • EINECS 249-076-9

Systematic Names

  • Benzoic acid, 5-((3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichlorophenyl)methyl)-2-hydroxy-3-methyl-, trisodium salt
  • Trisodium 5-((3-carboxylato-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichlorophenyl)methyl)-2-oxido-3-methylbenzoate

Registry Numbers

CAS Registry Number

  • 28546-93-2

System Generated Number

  • 0028546932

Molecular Formulas

Molecular Formula

  • C23-H16-Cl2-O6.3Na

Molecular Formula Fragments

  • C23-H16-Cl2-O6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C23H16Cl2O6.3Na/c1-10-6-12(8-14(20(10)26)22(28)29)18(19-16(24)4-3-5-17(19)25)13-7-11(2)21(27)15(9-13)23(30)31;;;/h3-9,26H,1-2H3,(H,28,29)(H,30,31);;;/q;3*+1/p-3/b18-13-;;;

InChIKey

HUCLZETWCAHAKK-MLUUKTGYSA-K

Smiles

Cc1cc(cc(c1[O-])C(=O)[O-])/C(=C/2\C=C(C(=O)C(=C2)C(=O)[O-])C)/c3c(cccc3Cl)Cl.[Na+].[Na+].[Na+]