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Substance Name: 2-(2-((5-Bromo-3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene)methyl)but-1-enyl)-3-ethyl-5,6-dimethylbenzothiazolium
RN: 39981-04-9
InChIKey: SIWBZPYXOLAGLL-UHFFFAOYSA-N

Molecular Formula

  • C26-H29-Br-N2-O3-S3

Molecular Weight

  • 593.6281
 
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Names and Synonyms

Synonym

  • EINECS 254-732-2

Systematic Name

  • 2-(2-((5-Bromo-3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene)methyl)but-1-enyl)-3-ethyl-5,6-dimethylbenzothiazolium

Registry Numbers

CAS Registry Number

  • 39981-04-9

System Generated Number

  • 0039981049

Structure Descriptors

InChI

1S/C26H29BrN2O3S3/c1-5-19(14-25-28(6-2)21-12-17(3)18(4)13-24(21)34-25)15-26-29(10-7-11-35(30,31)32)22-16-20(27)8-9-23(22)33-26/h8-9,12-16H,5-7,10-11H2,1-4H3

InChIKey

SIWBZPYXOLAGLL-UHFFFAOYSA-N

Smiles

CC/C(=C/c1[n+](c2cc(c(cc2s1)C)C)CC)/C=C\3/N(c4cc(ccc4S3)Br)CCCS(=O)(=O)[O-]