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Substance Name: 3,4,4'-Trihydroxy-alpha,alpha'-diethylstilbene
RN: 71113-07-0
InChIKey: MOVGOKPAVPTKIV-FOCLMDBBSA-N

Note

  • Metabolic intermediate of diethylstilbestrol.

Classification Code

  • Mutation Data

Molecular Formula

  • C18-H20-O3

Molecular Weight

  • 284.353
 
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Names and Synonyms

Name of Substance

  • 3,4,4'-Trihydroxy-alpha,alpha'-diethylstilbene

Synonyms

  • (E)-4-(1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl)-1,2-benzenediol
  • 1,2-Benzenediol, 4-(1,2-diethyl-2-(4-hydroxyphenyl)ethenyl)-, (E)-
  • 3,4,4'-Stilbenetriol, alpha,alpha'-diethyl-, (E)-
  • BRN 5576573
  • E-3'-Hydroxydiethylstilbestrol

Systematic Name

  • 1,2-Benzenediol, 4-(1-ethyl-2-(4-hydroxyphenyl)-1-butenyl)-, (E)-

Registry Numbers

CAS Registry Number

  • 71113-07-0

System Generated Number

  • 0071113070

Structure Descriptors

InChI

1S/C18H20O3/c1-3-15(12-5-8-14(19)9-6-12)16(4-2)13-7-10-17(20)18(21)11-13/h5-11,19-21H,3-4H2,1-2H3/b16-15+

InChIKey

MOVGOKPAVPTKIV-FOCLMDBBSA-N

Smiles

c1(c(cc(cc1)C(=C(\CC)c1ccc(cc1)O)\CC)O)O