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Substance Name: 7-Benzothiazolesulfonic acid, 2-(2-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-6-quinolinyl)-6-methyl-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)
RN: 71832-69-4
InChIKey: JADMHUDNCZNLEW-UHFFFAOYSA-N

Molecular Formula

  • C26-H16-N2-O5-S2.C6-H15-N-O3

Molecular Weight

  • 649.742
 
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Names and Synonyms

Synonyms

  • 2-(2-(1,3-Dioxo-2-indanyl)-6-quinolyl)-6-methyl-7-benzothiazolesulfonic acid, compd. with triethanolamine (1:1)
  • EINECS 276-049-9

Systematic Names

  • 2-(2-(2,3-Dihydro-1,3-dioxo-1H-inden-2-yl)quinolin-6-yl)-6-methylbenzothiazole-7-sulphonic acid, compound with 2,2',2''-nitrilotris(ethanol) (1:1)
  • 7-Benzothiazolesulfonic acid, 2-(2-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-6-quinolinyl)-6-methyl-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)

Registry Numbers

CAS Registry Number

  • 71832-69-4

System Generated Number

  • 0071832694

Molecular Formulas

Molecular Formula

  • C26-H16-N2-O5-S2.C6-H15-N-O3

Molecular Formula Fragments

  • C26-H16-N2-O5-S2
  • C6-H15-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C26H16N2O5S2.C6H15NO3/c1-13-6-9-20-24(25(13)35(31,32)33)34-26(28-20)15-8-10-18-14(12-15)7-11-19(27-18)21-22(29)16-4-2-3-5-17(16)23(21)30;8-4-1-7(2-5-9)3-6-10/h2-12,21H,1H3,(H,31,32,33);8-10H,1-6H2

InChIKey

JADMHUDNCZNLEW-UHFFFAOYSA-N

Smiles

N(CCO)(CCO)CCO.s1c(nc2c1c(c(cc2)C)S(=O)(=O)O)c1cc2ccc(nc2cc1)C1C(c2ccccc2C1=O)=O