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Substance Name: 5-Ethoxy-2-(2-((3-ethyl-5-methyl-3H-benzoselenazol-2-ylidene)methyl)but-1-enyl)-3-(3-sulphonatopropyl)benzothiazolium
RN: 55811-25-1
InChIKey: KTQCCGGJPFHOIH-UHFFFAOYSA-N

Molecular Formula

  • C27-H32-N2-O4-S2-Se

Molecular Weight

  • 591.6518
 
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Names and Synonyms

Synonym

  • EINECS 259-833-5

Systematic Name

  • 5-Ethoxy-2-(2-((3-ethyl-5-methyl-3H-benzoselenazol-2-ylidene)methyl)but-1-enyl)-3-(3-sulphonatopropyl)benzothiazolium

Registry Numbers

CAS Registry Number

  • 55811-25-1

System Generated Number

  • 0055811251

Structure Descriptors

InChI

1S/C27H32N2O4S2Se/c1-5-20(17-27-28(6-2)23-15-19(4)9-12-25(23)36-27)16-26-29(13-8-14-35(30,31)32)22-18-21(33-7-3)10-11-24(22)34-26/h9-12,15-18H,5-8,13-14H2,1-4H3

InChIKey

KTQCCGGJPFHOIH-UHFFFAOYSA-N

Smiles

CC/C(=C/c1[n+](c2cc(ccc2s1)OCC)CCCS(=O)(=O)[O-])/C=C\3/N(c4cc(ccc4[Se]3)C)CC