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Substance Name: Benzothiazolium, 2-(2-((3-ethyl-5-methoxy-2(3H)-benzoselenazolylidene)methyl)-1-buten-1-yl)-6-methoxy-5-methyl-3-(4-sulfobutyl)-, inner salt
RN: 63815-64-5
InChIKey: GDNHWQHMPIKQLF-UHFFFAOYSA-N

Molecular Formula

  • C28-H34-N2-O5-S2-Se

Molecular Weight

  • 621.678
 
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Names and Synonyms

Synonym

  • EINECS 264-472-1

Systematic Names

  • 2-(2-((3-Ethyl-5-methoxy-3H-benzoselenazol-2-ylidene)methyl)but-1-enyl)-6-methoxy-5-methyl-3-(4-sulphonatobutyl)benzothiazolium
  • Benzothiazolium, 2-(2-((3-ethyl-5-methoxy-2(3H)-benzoselenazolylidene)methyl)-1-buten-1-yl)-6-methoxy-5-methyl-3-(4-sulfobutyl)-, inner salt
  • Benzothiazolium, 2-(2-((3-ethyl-5-methoxy-2(3H)-benzoselenazolylidene)methyl)-1-butenyl)-6-methoxy-5-methyl-3-(4-sulfobutyl)-, inner salt

Registry Numbers

CAS Registry Number

  • 63815-64-5

System Generated Number

  • 0063815645

Structure Descriptors

InChI

1S/C28H34N2O5S2Se/c1-6-20(16-28-29(7-2)23-17-21(34-4)10-11-26(23)38-28)15-27-30(12-8-9-13-37(31,32)33)22-14-19(3)24(35-5)18-25(22)36-27/h10-11,14-18H,6-9,12-13H2,1-5H3

InChIKey

GDNHWQHMPIKQLF-UHFFFAOYSA-N

Smiles

s1c([n+](c2c1cc(c(c2)C)OC)CCCCS(=O)(=O)[O-])\C=C(\CC)\C=C1/[Se]c2c(N1CC)cc(cc2)OC