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Substance Name: Benzothiazolium, 2-(3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl)-3-(3-sulfobutyl)-, inner salt
RN: 34935-38-1
InChIKey: HHGWLRNRKVHQRS-UHFFFAOYSA-N

Molecular Formula

  • C24-H26-N2-O3-S3

Molecular Weight

  • 486.678
 
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Names and Synonyms

Synonym

  • EINECS 252-296-8

Systematic Names

  • 2-(3-(3-Ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl)-3-(3-sulphonatobutyl)benzothiazolium
  • Benzothiazolium, 2-(3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl)-3-(3-sulfobutyl)-, inner salt
  • Benzothiazolium, 2-(3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl)-3-(3-sulfobutyl)-, inner salt

Registry Numbers

CAS Registry Number

  • 34935-38-1

Other Registry Number

  • 28789-08-4

System Generated Number

  • 0034935381

Structure Descriptors

InChI

1S/C24H26N2O3S3/c1-4-25-19-9-5-7-11-21(19)30-23(25)15-17(2)16-24-26(14-13-18(3)32(27,28)29)20-10-6-8-12-22(20)31-24/h5-12,15-16,18H,4,13-14H2,1-3H3

InChIKey

HHGWLRNRKVHQRS-UHFFFAOYSA-N

Smiles

O=S(=O)([O-])[C@@H](CC[n+]1c2c(sc1\C=C(\C=C1/N(c3c(cccc3)S1)CC)C)cccc2)C