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Substance Name: Benzoic acid, 5-((3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2-chloro-4-(dimethylamino)phenyl)methyl)-2-hydroxy-3-methyl-, sodium salt (1:2)
RN: 72927-90-3
InChIKey: GWASQUMCDHWYNG-BLUKMUHWSA-L

Molecular Formula

  • C25-H22-Cl-N-O6.2Na

Molecular Weight

  • 511.867
 
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Names and Synonyms

Synonyms

  • Benzoic acid, 5-((3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2-chloro-4-(dimethylamino)phenyl)methyl)-2-hydroxy-3-methyl-, disodium salt
  • EINECS 277-031-3

Systematic Names

  • Benzoic acid, 5-((3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2-chloro-4-(dimethylamino)phenyl)methyl)-2-hydroxy-3-methyl-, disodium salt
  • Benzoic acid, 5-((3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2-chloro-4-(dimethylamino)phenyl)methyl)-2-hydroxy-3-methyl-, sodium salt (1:2)
  • Disodium 5-((3-carboxylato-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2-chloro-4-(dimethylamino)phenyl)methyl)-2-hydroxy-3-methylbenzoate

Registry Numbers

CAS Registry Number

  • 72927-90-3

System Generated Number

  • 0072927903

Molecular Formulas

Molecular Formula

  • C25-H22-Cl-N-O6.2Na

Molecular Formula Fragments

  • C25-H22-Cl-N-O6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C25H22ClNO6.2Na/c1-12-7-14(9-18(22(12)28)24(30)31)21(17-6-5-16(27(3)4)11-20(17)26)15-8-13(2)23(29)19(10-15)25(32)33;;/h5-11,28H,1-4H3,(H,30,31)(H,32,33);;/q;2*+1/p-2/b21-15-;;

InChIKey

GWASQUMCDHWYNG-BLUKMUHWSA-L

Smiles

[Na+].[Na+].C(c1c(c(cc(c1)C(\c1c(cc(cc1)N(C)C)Cl)=C1/C=C(C(C(=C1)C)=O)C(=O)[O-])C)O)(=O)[O-]