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Substance Name: 2-(2-((5-Chloro-3-ethyl-3H-benzothiazol-2-ylidene)methyl)but-1-enyl)-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium
RN: 29213-78-3
InChIKey: YJQBFLHCXFMMNZ-UHFFFAOYSA-N

Molecular Formula

  • C26-H29-Cl-N2-O3-S3

Molecular Weight

  • 549.1771
 
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Names and Synonyms

Synonym

  • EINECS 249-515-4

Systematic Name

  • 2-(2-((5-Chloro-3-ethyl-3H-benzothiazol-2-ylidene)methyl)but-1-enyl)-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium

Registry Numbers

CAS Registry Number

  • 29213-78-3

System Generated Number

  • 0029213783

Structure Descriptors

InChI

1S/C26H29ClN2O3S3/c1-5-19(14-25-28(6-2)22-16-20(27)8-9-23(22)33-25)15-26-29(10-7-11-35(30,31)32)21-12-17(3)18(4)13-24(21)34-26/h8-9,12-16H,5-7,10-11H2,1-4H3

InChIKey

YJQBFLHCXFMMNZ-UHFFFAOYSA-N

Smiles

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