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Substance Name: Benzothiazolium, 3-ethyl-2-(2-((3-(2-hydroxyethyl)-6-methoxy-5-methyl-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-6-methoxy-5-methyl-, iodide (1:1)
RN: 63815-94-1
InChIKey: FQITWMPLHQNZBR-UHFFFAOYSA-M

Molecular Formula

  • C27-H33-N2-O3-S2.I

Molecular Weight

  • 624.601
 
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Names and Synonyms

Synonyms

  • Benzothiazolium, 3-ethyl-2-(2-((3-(2-hydroxyethyl)-6-methoxy-5-methyl-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-6-methoxy-5-methyl-, iodide
  • EINECS 264-482-6

Systematic Names

  • 3-Ethyl-2-(2-((3-(2-hydroxyethyl)-6-methoxy-5-methyl-3H-benzothiazol-2-ylidene)methyl)but-1-enyl)-6-methoxy-5-methylbenzothiazolium iodide
  • Benzothiazolium, 3-ethyl-2-(2-((3-(2-hydroxyethyl)-6-methoxy-5-methyl-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-6-methoxy-5-methyl-, iodide (1:1)
  • Benzothiazolium, 3-ethyl-2-(2-((3-(2-hydroxyethyl)-6-methoxy-5-methyl-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-6-methoxy-5-methyl-, iodide

Registry Numbers

CAS Registry Number

  • 63815-94-1

System Generated Number

  • 0063815941

Molecular Formulas

Molecular Formula

  • C27-H33-N2-O3-S2.I

Molecular Formula Fragments

  • C27-H33-N2-O3-S2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C27H33N2O3S2.HI/c1-7-19(13-26-28(8-2)20-11-17(3)22(31-5)15-24(20)33-26)14-27-29(9-10-30)21-12-18(4)23(32-6)16-25(21)34-27;/h11-16,30H,7-10H2,1-6H3;1H/q+1;/p-1

InChIKey

FQITWMPLHQNZBR-UHFFFAOYSA-M

Smiles

C(=C(/CC)\C=C1\N(c2cc(C)c(cc2S1)OC)CCO)\c1[n+](c2cc(c(cc2s1)OC)C)CC.[IH-]