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Substance Name: 2-(2-((3-Ethyl-5-methylbenzothiazol-2(3H)-ylidene)methyl)but-1-enyl)-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium
RN: 66096-08-0
InChIKey: GUNWUUGCMQOMAX-UHFFFAOYSA-N

Molecular Formula

  • C27-H32-N2-O3-S3

Molecular Weight

  • 528.7588
 
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Names and Synonyms

Synonym

  • EINECS 266-140-1

Systematic Name

  • 2-(2-((3-Ethyl-5-methylbenzothiazol-2(3H)-ylidene)methyl)but-1-enyl)-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium

Registry Numbers

CAS Registry Number

  • 66096-08-0

System Generated Number

  • 0066096080

Structure Descriptors

InChI

1S/C27H32N2O3S3/c1-6-21(16-26-28(7-2)22-13-18(3)9-10-24(22)33-26)17-27-29(11-8-12-35(30,31)32)23-14-19(4)20(5)15-25(23)34-27/h9-10,13-17H,6-8,11-12H2,1-5H3

InChIKey

GUNWUUGCMQOMAX-UHFFFAOYSA-N

Smiles

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