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Substance Name: Benzoxazolium, 3-methyl-2-(5-(3-methyl-2(3H)-benzoxazolylidene)-1,3-pentadien-1-yl)-, 4-methylbenzenesulfonate (1:1)
RN: 68109-70-6
InChIKey: TYKOZQCHNVLQEU-UHFFFAOYSA-M

Molecular Formula

  • C21-H19-N2-O2.C7-H7-O3-S

Molecular Weight

  • 502.588
 
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Names and Synonyms

Synonym

  • EINECS 268-484-8

Systematic Names

  • 3-Methyl-2-(5-(3-methyl-3H-benzoxazol-2-ylidene)penta-1,3-dienyl)benzoxazolium p-toluenesulphonate
  • Benzoxazolium, 3-methyl-2-(5-(3-methyl-2(3H)-benzoxazolylidene)-1,3-pentadien-1-yl)-, 4-methylbenzenesulfonate (1:1)
  • Benzoxazolium, 3-methyl-2-(5-(3-methyl-2(3H)-benzoxazolylidene)-1,3-pentadienyl)-, salt with 4-methylbenzenesulfonic acid (1:1)

Registry Numbers

CAS Registry Number

  • 68109-70-6

System Generated Number

  • 0068109706

Molecular Formulas

Molecular Formula

  • C21-H19-N2-O2.C7-H7-O3-S

Molecular Formula Fragments

  • C21-H19-N2-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C21H19N2O2.C7H8O3S/c1-22-16-10-6-8-12-18(16)24-20(22)14-4-3-5-15-21-23(2)17-11-7-9-13-19(17)25-21;1-6-2-4-7(5-3-6)11(8,9)10/h3-15H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChIKey

TYKOZQCHNVLQEU-UHFFFAOYSA-M

Smiles

[n+]1(C)c(\C=C\C=C\C=C2\N(C)c3ccccc3O2)oc2ccccc12.S([O-])(=O)(=O)c1ccc(cc1)C