estrone benzoate (Q27285383)

Estrone benzoate (English)

14 October 2016

chemical formula

C₂₅H₂₆O₃

1 reference

Estrone benzoate (English)

14 October 2016

canonical SMILES

CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5

1 reference

Estrone benzoate (English)

14 October 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5

1 reference

Estrone benzoate (English)

InChI=1S/C25H26O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-22H,7,9,11-14H2,1H3/t20-,21-,22+,25+/m1/s1

14 October 2016

Identifiers

InChI

1 reference

Estrone benzoate (English)

HKUKRSLIEVXDMS-APDHKMKFSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

Estrone benzoate (English)

14 October 2016

2 references

UNII

O636LYL5W8

estrone benzoate (English)

HKUKRSLIEVXDMS-APDHKMKFSA-N

14 October 2016

InChIKey

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=2393-53-5

1 reference

ESTRONE BENZOATE (English)

14 October 2016

1 reference

Estrone benzoate (English)

14 October 2016

1 reference

DSSTOX compound identifier

CHEMBL1628207 (English)

14 October 2016

1 reference

0 references

0 references

1 reference

Global Substance Registration System

UNII

O636LYL5W8

estrone benzoate (English)