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Substance Name: Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-5-methyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl)-5-methyl-, 4-methylbenzenesulfonate (1:1)
RN: 20387-34-2
InChIKey: KMHASDUVENHGQB-UHFFFAOYSA-M

Molecular Formula

  • C24-H27-N2-S2.C7-H7-O3-S

Molecular Weight

  • 578.819
 
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Names and Synonyms

Synonym

  • 3,3'-Diethyl-5,5',9'-trimethylthiacarbocyanine tosylate

Systematic Names

  • Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-5-methyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl)-5-methyl-, 4-methylbenzenesulfonate (1:1)
  • Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-5-methyl-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl)-5-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)

Registry Numbers

CAS Registry Number

  • 20387-34-2

System Generated Number

  • 0020387342

Molecular Formulas

Molecular Formula

  • C24-H27-N2-S2.C7-H7-O3-S

Molecular Formula Fragments

  • C24-H27-N2-S2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C24H27N2S2.C7H8O3S/c1-6-25-19-12-16(3)8-10-21(19)27-23(25)14-18(5)15-24-26(7-2)20-13-17(4)9-11-22(20)28-24;1-6-2-4-7(5-3-6)11(8,9)10/h8-15H,6-7H2,1-5H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChIKey

KMHASDUVENHGQB-UHFFFAOYSA-M

Smiles

C1(=C/C(=C\c2[n+](c3cc(C)ccc3s2)CC)C)\N(c2cc(C)ccc2S1)CC.c1c(ccc(c1)C)S(=O)(=O)[O-]