coxestradiol (Q25091461)

Cloxestradiol (English)

14 October 2016

chemical formula

C₂₀H₂₅Cl₃O₃

1 reference

Cloxestradiol (English)

14 October 2016

canonical SMILES

CC12CCC3C(C1CCC2OC(C(Cl)(Cl)Cl)O)CCC4=C3C=CC(=C4)O

1 reference

Cloxestradiol (English)

14 October 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(C(Cl)(Cl)Cl)O)CCC4=C3C=CC(=C4)O

1 reference

Cloxestradiol (English)

InChI=1S/C20H25Cl3O3/c1-19-9-8-14-13-5-3-12(24)10-11(13)2-4-15(14)16(19)6-7-17(19)26-18(25)20(21,22)23/h3,5,10,14-18,24-25H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18?,19+/m1/s1

14 October 2016

Identifiers

InChI

1 reference

Cloxestradiol (English)

JVLHMVXGPLKLFV-AJUWMHLFSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

Cloxestradiol (English)

14 October 2016

2 references

UNII

42R9MZG1DL

cloxestradiol (English)

JVLHMVXGPLKLFV-AJUWMHLFSA-N

14 October 2016

InChIKey

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=54063-33-1

1 reference

Cloxestradiol (English)

14 October 2016

1 reference

Cloxestradiol (English)

14 October 2016

1 reference

Global Substance Registration System

CLOXESTRADIOL (English)

14 October 2016

1 reference

1 reference

UNII

42R9MZG1DL

cloxestradiol (English)