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Substance Name: Benzothiazolium, 2-(4-(dimethylamino)phenyl)-3,6-dimethyl-, benzoate (1:1)
RN: 68310-89-4
InChIKey: YLNRZMQISIVORD-UHFFFAOYSA-M

Molecular Formula

  • C17-H19-N2-S.C7-H5-O2

Molecular Weight

  • 404.532
 
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Names and Synonyms

Synonyms

  • C.I. Pigment Yellow 18 (fugitive), benzoic acid salt
  • EINECS 269-743-8

Systematic Names

  • 2-(4-(Dimethylamino)phenyl)-3,6-dimethylbenzothiazolium benzoate
  • Benzothiazolium, 2-(4-(dimethylamino)phenyl)-3,6-dimethyl-, benzoate
  • Benzothiazolium, 2-(4-(dimethylamino)phenyl)-3,6-dimethyl-, benzoate (1:1)

Registry Numbers

CAS Registry Number

  • 68310-89-4

System Generated Number

  • 0068310894

Molecular Formulas

Molecular Formula

  • C17-H19-N2-S.C7-H5-O2

Molecular Formula Fragments

  • C17-H19-N2-S
  • C7-H5-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C17H19N2S.C7H6O2/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3;8-7(9)6-4-2-1-3-5-6/h5-11H,1-4H3;1-5H,(H,8,9)/q+1;/p-1

InChIKey

YLNRZMQISIVORD-UHFFFAOYSA-M

Smiles

[n+]1(C)c(sc2cc(ccc12)C)c1ccc(cc1)N(C)C.c1ccccc1C([O-])=O