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Substance Name: Diethylstilbestrol epoxide
RN: 6052-82-0
InChIKey: XOZFXKUFVFLGAB-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C18-H20-O3

Molecular Weight

  • 284.353
 
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Names and Synonyms

Name of Substance

  • Diethylstilbestrol epoxide

Synonyms

  • 4-17-00-02197 (Beilstein Handbook Reference)
  • alpha,alpha'-Diethyl-alpha,alpha'-epoxybibenzyl-4,4'-diol
  • BRN 0030889
  • DES 3,4-oxide
  • DES-alpha,beta-oxide
  • Diethylstilbestrol alpha,beta-oxide
  • Diethylstilboestrol-3,4-oxide
  • Diethylstilboestrol-alpha,beta-oxide

Systematic Names

  • Bibenzyl-4,4'-diol, alpha,alpha'-diethyl-alpha,alpha'-epoxy-
  • Phenol, 4,4'-(2,3-diethyl-2,3-oxiranediyl)bis-

Registry Numbers

CAS Registry Number

  • 6052-82-0

System Generated Number

  • 0006052820

Structure Descriptors

InChI

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

InChIKey

XOZFXKUFVFLGAB-UHFFFAOYSA-N

Smiles

c1([C@@]2([C@@](c3ccc(O)cc3)(CC)O2)CC)ccc(O)cc1