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Substance Name: 3-Methyl-2-(2-((3-methyl-3H-benzothiazol-2-ylidene)methyl)but-1-enyl)benzothiazolium iodide
RN: 47450-63-5
InChIKey: PXNGPTDWDCOFFI-UHFFFAOYSA-M

Molecular Formula

  • C21-H21-N2-S2.I

Molecular Weight

  • 492.4429
 
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Names and Synonyms

Synonym

  • EINECS 256-315-0

Systematic Name

  • 3-Methyl-2-(2-((3-methyl-3H-benzothiazol-2-ylidene)methyl)but-1-enyl)benzothiazolium iodide

Registry Numbers

CAS Registry Number

  • 47450-63-5

System Generated Number

  • 0047450635

Molecular Formulas

Molecular Formula

  • C21-H21-N2-S2.I

Molecular Formula Fragments

  • C21-H21-N2-S2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C21H21N2S2.HI/c1-4-15(13-20-22(2)16-9-5-7-11-18(16)24-20)14-21-23(3)17-10-6-8-12-19(17)25-21;/h5-14H,4H2,1-3H3;1H/q+1;/p-1

InChIKey

PXNGPTDWDCOFFI-UHFFFAOYSA-M

Smiles

CC/C(=C/c1[n+](c2ccccc2s1)C)/C=C/3\N(c4ccccc4S3)C.[I-]