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Substance Name: Benzothiazolium, 2-(2-((3-ethyl-5-methoxy-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-5-methoxy-3-(3-sulfopropyl)-, inner salt
RN: 14637-08-2
InChIKey: BPVXRCNZOAFWOB-UHFFFAOYSA-N

Molecular Formula

  • C26-H30-N2-O5-S3

Molecular Weight

  • 546.73
 
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Names and Synonyms

Synonyms

  • Anhydro-2-(3-(3-ethyl-5-methoxy-2-benzothiazolinylidene)-2-ethylpropenyl)-3-(3-sulfopropyl)-5-methoxybenzothiazolium hydroxide
  • EINECS 238-681-3

Systematic Names

  • 2-(2-((3-Ethyl-5-methoxybenzothiazol-2(3H)-ylidene)methyl)but-1-enyl)-5-methoxy-3-(3-sulphonatopropyl)benzothiazolium
  • Benzothiazolium, 2-(2-((3-ethyl-5-methoxy-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-5-methoxy-3-(3-sulfopropyl)-, inner salt
  • Benzothiazolium, 2-(2-((3-ethyl-5-methoxy-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-5-methoxy-3-(3-sulfopropyl)-, hydroxide, inner salt
  • Benzothiazolium, 2-(2-((3-ethyl-5-methoxy-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-5-methoxy-3-(3-sulfopropyl)-, inner salt

Registry Numbers

CAS Registry Number

  • 14637-08-2

Other Registry Number

  • 61735-08-8

System Generated Number

  • 0014637082

Structure Descriptors

InChI

1S/C26H30N2O5S3/c1-5-18(14-25-27(6-2)21-16-19(32-3)8-10-23(21)34-25)15-26-28(12-7-13-36(29,30)31)22-17-20(33-4)9-11-24(22)35-26/h8-11,14-17H,5-7,12-13H2,1-4H3

InChIKey

BPVXRCNZOAFWOB-UHFFFAOYSA-N

Smiles

O=S(=O)([O-])CCC[n+]1c2cc(ccc2sc1\C=C(/C=C1/N(c2c(ccc(OC)c2)S1)CC)CC)OC