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Substance Name: Benzothiazolium, 3-ethyl-2-((3-(3-(3-((3-ethyl-2(3H)-benzothiazolylidene)methyl)-5,5-dimethyl-2-cyclohexen-1-ylidene)-1-propen-1-yl)-5,5-dimethyl-2-cyclohexen-1-ylidene)methyl)-, iodide (1:1)
RN: 15979-19-8
InChIKey: FNPCQDVGQPFHND-UHFFFAOYSA-M

Molecular Formula

  • C39-H45-N2-S2.I

Molecular Weight

  • 732.831
 
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Names and Synonyms

Synonyms

  • 3-Ethyl-2-((3-(3-(3-((3-ethyl-2(3H)-benzothiazolylidene)methyl)-5,5-dimethyl-2-cyclohexen-1-ylidene)-1-propenyl)-5,5-dimethyl-2-cyclohexen-1-ylidene)methyl)benzothiazolium iodide
  • EINECS 240-116-0

Systematic Names

  • 3-Ethyl-2-((3-(3-(3-((3-ethyl-3H-benzothiazol-2-ylidene)methyl)-5,5-dimethylcyclohex-2-en-1-ylidene)prop-1-enyl)-5,5-dimethylcyclohex-2-en-1-ylidene)methyl)benzothiazolium iodide
  • Benzothiazolium, 3-ethyl-2-((3-(3-(3-((3-ethyl-2(3H)-benzothiazolylidene)methyl)-5,5-dimethyl-2-cyclohexen-1-ylidene)-1-propen-1-yl)-5,5-dimethyl-2-cyclohexen-1-ylidene)methyl)-, iodide (1:1)
  • Benzothiazolium, 3-ethyl-2-((3-(3-(3-((3-ethyl-2(3H)-benzothiazolylidene)methyl)-5,5-dimethyl-2-cyclohexen-1-ylidene)-1-propenyl)-5,5-dimethyl-2-cyclohexen-1-ylidene)methyl)-, iodide

Registry Numbers

CAS Registry Number

  • 15979-19-8

System Generated Number

  • 0015979198

Molecular Formulas

Molecular Formula

  • C39-H45-N2-S2.I

Molecular Formula Fragments

  • C39-H45-N2-S2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C39H45N2S2.HI/c1-7-40-32-16-9-11-18-34(32)42-36(40)22-30-20-28(24-38(3,4)26-30)14-13-15-29-21-31(27-39(5,6)25-29)23-37-41(8-2)33-17-10-12-19-35(33)43-37;/h9-23H,7-8,24-27H2,1-6H3;1H/q+1;/p-1

InChIKey

FNPCQDVGQPFHND-UHFFFAOYSA-M

Smiles

c1(\C=C2\C=C(CC(C2)(C)C)\C=C/C=C2/C=C(CC(C2)(C)C)\C=C2/N(c3ccccc3S2)CC)sc2ccccc2[n+]1CC.[IH-]