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Substance Name: 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 perchlorate
RN: 65767-27-3
InChIKey: GSNCVSBBWPKYBF-UHFFFAOYSA-M

Molecular Formula

  • C39-H45-N2-S2.Cl-O4

Molecular Weight

  • 705.3795
 
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Names and Synonyms

Synonym

  • EINECS 265-913-0

Systematic Name

  • 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 perchlorate

Registry Numbers

CAS Registry Number

  • 65767-27-3

System Generated Number

  • 0065767273

Molecular Formulas

Molecular Formula

  • C39-H45-N2-S2.Cl-O4

Molecular Formula Fragments

  • C39-H45-N2-S2
  • Cl-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C39H45N2S2.ClHO4/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;2-1(3,4)5/h9-23H,7-8,24-27H2,1-6H3;(H,2,3,4,5)/q+1;/p-1

InChIKey

GSNCVSBBWPKYBF-UHFFFAOYSA-M

Smiles

CC[n+]1c2ccccc2sc1/C=C/3\CC(CC(=C3)/C=C/C=C/4\CC(CC(=C4)/C=C/5\N(c6ccccc6S5)CC)(C)C)(C)C.[O-]Cl(=O)(=O)=O