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Substance Name: 2-(2-((5,6-Dimethoxy-3-(3-sulphonatopropyl)-3H-benzoselenazol-2-ylidene)methyl)but-1-enyl)-3-ethyl-5-methoxybenzoxazolium
RN: 67014-91-9
InChIKey: BFVRDZWARVFFCO-UHFFFAOYSA-N

Molecular Formula

  • C27-H32-N2-O7-S-Se

Molecular Weight

  • 607.5828
 
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Names and Synonyms

Synonym

  • EINECS 266-543-2

Systematic Names

  • 2-(2-((5,6-Dimethoxy-3-(3-sulphonatopropyl)-3H-benzoselenazol-2-ylidene)methyl)but-1-enyl)-3-ethyl-5-methoxybenzoxazolium
  • Benzoxazolium, 2-(2-((5,6-dimethoxy-3-(3-sulfopropyl)-2(3H)-benzoselenazolylidene)methyl)-1-butenyl)-3-ethyl-5-methoxy-, hydroxide, inner salt

Registry Numbers

CAS Registry Number

  • 67014-91-9

System Generated Number

  • 0067014919

Structure Descriptors

InChI

1S/C27H32N2O7SSe/c1-6-18(13-26-28(7-2)20-15-19(33-3)9-10-22(20)36-26)14-27-29(11-8-12-37(30,31)32)21-16-23(34-4)24(35-5)17-25(21)38-27/h9-10,13-17H,6-8,11-12H2,1-5H3

InChIKey

BFVRDZWARVFFCO-UHFFFAOYSA-N

Smiles

CC/C(=C/c1[n+](c2cc(ccc2o1)OC)CC)/C=C\3/N(c4cc(c(cc4[Se]3)OC)OC)CCCS(=O)(=O)[O-]