(Q27268036)

8,9-Dehydroestrone (English)

14 October 2016

chemical formula

C₁₈H₂₀O₂

1 reference

8,9-Dehydroestrone (English)

14 October 2016

canonical SMILES

CC12CCC3=C(C1CCC2=O)CCC4=C3C=CC(=C4)O

1 reference

8,9-Dehydroestrone (English)

14 October 2016

isomeric SMILES

C[C@]12CCC3=C([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O

1 reference

8,9-Dehydroestrone (English)

InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,16,19H,2,4,6-9H2,1H3/t16-,18-/m0/s1

14 October 2016

Identifiers

InChI

1 reference

8,9-Dehydroestrone (English)

OUGSRCWSHMWPQE-WMZOPIPTSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

8,9-Dehydroestrone (English)

14 October 2016

2 references

UNII

7C1N8RKG9F

8,9-dehydroestrone (English)

OUGSRCWSHMWPQE-WMZOPIPTSA-N

14 October 2016

InChIKey

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=474-87-3

1 reference

3-Hydroxyestra-1,3,5(10),8-tetraen-17-one (English)

14 October 2016

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

8,9-Dehydroestrone (English)

14 October 2016

1 reference

1 reference

DSSTOX compound identifier

0 references

1 reference

Global Substance Registration System

UNII

7C1N8RKG9F

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

8,9-dehydroestrone (English)

14 October 2016

1 reference