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Substance Name: 1H-Indene-5-carboxylic acid, 2,3-dihydro-2-(6-(6-methyl-7-sulfo-2-benzothiazolyl)-2-quinolinyl)-1,3-dioxo-, sodium salt (1:2)
RN: 16249-87-9
InChIKey: OUZJHSOHERXFRU-UHFFFAOYSA-L

Molecular Formula

  • C27-H16-N2-O7-S2.2Na

Molecular Weight

  • 588.527
 
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Names and Synonyms

Synonym

  • EINECS 240-361-3

Systematic Names

  • 1H-Indene-5-carboxylic acid, 2,3-dihydro-2-(6-(6-methyl-7-sulfo-2-benzothiazolyl)-2-quinolinyl)-1,3-dioxo-, disodium salt
  • 1H-Indene-5-carboxylic acid, 2,3-dihydro-2-(6-(6-methyl-7-sulfo-2-benzothiazolyl)-2-quinolinyl)-1,3-dioxo-, sodium salt (1:2)
  • Disodium 2-(6-(6-methyl-7-sulphonatobenzothiazol-2-yl)-2-quinolyl)-1,3-dioxoindan-5-carboxylate

Registry Numbers

CAS Registry Number

  • 16249-87-9

System Generated Number

  • 0016249879

Molecular Formulas

Molecular Formula

  • C27-H16-N2-O7-S2.2Na

Molecular Formula Fragments

  • C27-H16-N2-O7-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C27H16N2O7S2.2Na/c1-12-2-7-20-24(25(12)38(34,35)36)37-26(29-20)14-5-8-18-13(10-14)4-9-19(28-18)21-22(30)16-6-3-15(27(32)33)11-17(16)23(21)31;;/h2-11,21H,1H3,(H,32,33)(H,34,35,36);;/q;2*+1/p-2

InChIKey

OUZJHSOHERXFRU-UHFFFAOYSA-L

Smiles

c12c(ccc(n2)[C@@H]2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc(c2nc3ccc(c(c3s2)S(=O)(=O)[O-])C)cc1.[Na+].[Na+]