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Substance Name: 4-(11-Ethyl-3-(2-propen-1-yloxy)-6H-dibenzo(b,f)thiocin-12-yl)phenol
RN: 85850-88-0
UNII: M404H80G98
InChIKey: GOHGCXQNGFSDOM-ROMGYVFFSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C26-H24-O2-S.1/2H2-O

Molecular Weight

  • 400.5396
 
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Names and Synonyms

Name of Substance

  • 4-(11-Ethyl-3-(2-propen-1-yloxy)-6H-dibenzo(b,f)thiocin-12-yl)phenol

Synonyms

  • p-(3-(Allyloxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol hemihydrate
  • UNII-M404H80G98

Systematic Name

  • Phenol, p-(3-(allyloxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)-, hemihydrate

Registry Numbers

CAS Registry Number

  • 85850-88-0

FDA UNII

  • M404H80G98

System Generated Number

  • 0085850880

Molecular Formulas

Molecular Formula

  • C26-H24-O2-S.1/2H2-O

Molecular Formula Fragments

  • C26-H24-O2-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C26H24O2S/c1-3-15-28-21-13-14-24-25(16-21)29-17-19-7-5-6-8-23(19)22(4-2)26(24)18-9-11-20(27)12-10-18/h3,5-14,16,27H,1,4,15,17H2,2H3/b26-22-

InChIKey

GOHGCXQNGFSDOM-ROMGYVFFSA-N

Smiles

CC/C/1=C(/c2ccc(cc2SCc3c1cccc3)OCC=C)\c4ccc(cc4)O