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Substance Name: 3-((11-Ethyl-12-phenyl-6H-dibenzo(b,f)thiocin-3-yl)oxy)-1,2-propanediol
RN: 85850-92-6
InChIKey: AVLURXTUGTUGMU-ROMGYVFFSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C26-H26-O3-S.1/4H2-O

Molecular Weight

  • 418.5544
 
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Names and Synonyms

Synonym

  • 3-((11-Ethyl-12-phenyl-6H-dibenzo(b,f)thiocin-3-yl)oxy)-1,2-propanediol hydrate (4:1)

Systematic Name

  • 1,2-Propanediol, 3-((11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin-3-yl)oxy)-, hydrate (4:1)

Registry Numbers

CAS Registry Number

  • 85850-92-6

System Generated Number

  • 0085850926

Molecular Formulas

Molecular Formula

  • C26-H26-O3-S.1/4H2-O

Molecular Formula Fragments

  • C26-H26-O3-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C26H26O3S/c1-2-22-23-11-7-6-10-19(23)17-30-25-14-21(29-16-20(28)15-27)12-13-24(25)26(22)18-8-4-3-5-9-18/h3-14,20,27-28H,2,15-17H2,1H3/b26-22-

InChIKey

AVLURXTUGTUGMU-ROMGYVFFSA-N

Smiles

CC/C/1=C(/c2ccc(cc2SCc3c1cccc3)OCC(CO)O)\c4ccccc4