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Substance Name: Benzothiazolium, 3-(2-carboxyethyl)-2-(2-((3-ethyl-5-methoxy-2(3H)-benzoselenazolylidene)methyl)-1-buten-1-yl)-6-methoxy-5-methyl-, iodide (1:1)
RN: 70942-37-9
InChIKey: FZYYHYJVNLNLSV-UHFFFAOYSA-N

Molecular Formula

  • C27-H31-N2-O4-S-Se.I

Molecular Weight

  • 685.4779
 
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Names and Synonyms

  • Benzothiazolium, 3-(2-carboxyethyl)-2-(2-((3-ethyl-5-methoxy-2(3H)-benzoselenazolylidene)methyl)-1-buten-1-yl)-6-methoxy-5-methyl-, iodide (1:1)
  • Benzothiazolium, 3-(2-carboxyethyl)-2-(2-((3-ethyl-5-methoxy-2(3H)-benzoselenazolylidene)methyl)-1-butenyl)-6-methoxy-5-methyl-, iodide

Registry Numbers

CAS Registry Number

  • 70942-37-9

System Generated Number

  • 0070942379

Molecular Formulas

Molecular Formula

  • C27-H31-N2-O4-S-Se.I

Molecular Formula Fragments

  • C27-H31-N2-O4-S-Se
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C27H30N2O4SSe.HI/c1-6-18(14-26-28(7-2)21-15-19(32-4)8-9-24(21)35-26)13-25-29(11-10-27(30)31)20-12-17(3)22(33-5)16-23(20)34-25;/h8-9,12-16H,6-7,10-11H2,1-5H3;1H

InChIKey

FZYYHYJVNLNLSV-UHFFFAOYSA-N

Smiles

CC/C(=C/c1[n+](c2cc(c(cc2s1)OC)C)CCC(=O)O)/C=C\3/N(c4cc(ccc4[Se]3)OC)CC.[I-]