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Substance Name: Benzothiazolium, 3-ethyl-2-(5-(3-((3-ethyl-2(3H)-benzothiazolylidene)methyl)-5,5-dimethyl-2-cyclohexen-1-ylidene)-1,3-pentadien-1-yl)-, iodide (1:1)
RN: 36528-80-0
InChIKey: LUDOBHXXKVQGQD-UHFFFAOYSA-M

Molecular Formula

  • C32-H35-N2-S2.I

Molecular Weight

  • 638.674
 
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Names and Synonyms

Synonym

  • 3-Ethyl-2-(5-(3-((3-ethyl-2(3H)-benzothiazolylidene)methyl)-5,5-dimethyl-2-cyclohexen-1-ylidene)-1,3-pentadienyl)benzothiazolium iodide

Systematic Names

  • Benzothiazolium, 3-ethyl-2-(5-(3-((3-ethyl-2(3H)-benzothiazolylidene)methyl)-5,5-dimethyl-2-cyclohexen-1-ylidene)-1,3-pentadien-1-yl)-, iodide (1:1)
  • Benzothiazolium, 3-ethyl-2-(5-(3-((3-ethyl-2(3H)-benzothiazolylidene)methyl)-5,5-dimethyl-2-cyclohexen-1-ylidene)-1,3-pentadienyl)-, iodide

Registry Numbers

CAS Registry Number

  • 36528-80-0

Other Registry Numbers

  • 166540-21-2
  • 351491-17-3
  • 73532-95-3

System Generated Number

  • 0036528800

Molecular Formulas

Molecular Formula

  • C32-H35-N2-S2.I

Molecular Formula Fragments

  • C32-H35-N2-S2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C32H35N2S2.HI/c1-5-33-26-15-10-12-17-28(26)35-30(33)19-9-7-8-14-24-20-25(23-32(3,4)22-24)21-31-34(6-2)27-16-11-13-18-29(27)36-31;/h7-21H,5-6,22-23H2,1-4H3;1H/q+1;/p-1

InChIKey

LUDOBHXXKVQGQD-UHFFFAOYSA-M

Smiles

S1C(\N(c2ccccc12)CC)=C\C1=C\C(CC(C1)(C)C)=C\C=C\C=C\c1sc2ccccc2[n+]1CC.[IH-]