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Substance Name: Benzothiazolium, 2-((5,5-dimethyl-3-((3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-2-cyclohexen-1-ylidene)methyl)-3-ethyl-, inner salt
RN: 64285-48-9
InChIKey: YRFUOEGOPWKHQT-UHFFFAOYSA-N

Molecular Formula

  • C29-H32-N2-O3-S3

Molecular Weight

  • 552.781
 
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Names and Synonyms

Synonym

  • EINECS 264-768-0

Systematic Names

  • 2-((5,5-Dimethyl-3-((3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene)methyl)cyclohex-2-en-1-ylidene)methyl)-3-ethylbenzothiazolium
  • Benzothiazolium, 2-((5,5-dimethyl-3-((3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-2-cyclohexen-1-ylidene)methyl)-3-ethyl-, hydroxide, inner salt
  • Benzothiazolium, 2-((5,5-dimethyl-3-((3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-2-cyclohexen-1-ylidene)methyl)-3-ethyl-, inner salt

Registry Numbers

CAS Registry Number

  • 64285-48-9

Other Registry Numbers

  • 106021-56-1
  • 110918-06-4
  • 112406-59-4
  • 112749-92-5
  • 114933-32-3
  • 117541-45-4
  • 128635-21-2
  • 141187-46-4
  • 144288-73-3
  • 230628-70-3
  • 257278-99-2
  • 27934-49-2
  • 321750-20-3

System Generated Number

  • 0064285489

Structure Descriptors

InChI

1S/C29H32N2O3S3/c1-4-30-23-10-5-7-12-25(23)35-27(30)17-21-16-22(20-29(2,3)19-21)18-28-31(14-9-15-37(32,33)34)24-11-6-8-13-26(24)36-28/h5-8,10-13,16-18H,4,9,14-15,19-20H2,1-3H3

InChIKey

YRFUOEGOPWKHQT-UHFFFAOYSA-N

Smiles

s1c([n+](c2c1cccc2)CC)\C=C1\C=C(CC(C1)(C)C)\C=C1/Sc2c(N1CCCS(=O)(=O)[O-])cccc2