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Substance Name: 3-Ethyl-2-(2-((3-(2-hydroxy-3-sulphonatopropyl)-5-methyl-3H-benzothiazol-2-ylidene)methyl)but-1-enyl)-5,6-dimethylbenzothiazolium
RN: 94158-28-8
InChIKey: KFVFKGQKRJSOCK-UHFFFAOYSA-N

Molecular Formula

  • C27-H32-N2-O4-S3

Molecular Weight

  • 544.7578
 
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Names and Synonyms

Synonym

  • EINECS 303-099-1

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 94158-28-8

System Generated Number

  • 0094158288

Structure Descriptors

InChI

1S/C27H32N2O4S3/c1-6-20(13-26-28(7-2)23-11-18(4)19(5)12-25(23)35-26)14-27-29(15-21(30)16-36(31,32)33)22-10-17(3)8-9-24(22)34-27/h8-14,21,30H,6-7,15-16H2,1-5H3

InChIKey

KFVFKGQKRJSOCK-UHFFFAOYSA-N

Smiles

s1c([n+](c2c1cc(c(c2)C)C)CC)\C=C(\CC)\C=C1/Sc2c(N1C[C@@H](CS(=O)(=O)[O-])O)cc(cc2)C