fluperolone (Q27288511)

UNII-S33056JLS5 (English)

14 October 2016

chemical formula

C₂₂H₂₉FO₅

1 reference

UNII-S33056JLS5 (English)

14 October 2016

canonical SMILES

CC(C(=O)C1(CCC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)O)O

1 reference

UNII-S33056JLS5 (English)

14 October 2016

isomeric SMILES

C[C@@H](C(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)O)O

1 reference

UNII-S33056JLS5 (English)

InChI=1S/C22H29FO5/c1-12(24)18(27)21(28)9-7-15-16-5-4-13-10-14(25)6-8-19(13,2)22(16,23)17(26)11-20(15,21)3/h6,8,10,12,15-17,24,26,28H,4-5,7,9,11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1

14 October 2016

Identifiers

InChI

1 reference

UNII-S33056JLS5 (English)

SLVCCRYLKTYUQP-DVTGEIKXSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-S33056JLS5 (English)

14 October 2016

1 reference

UNII

S33056JLS5

fluperolone (English)

14 October 2016

1 reference

fluperolone (English)

14 October 2016

1 reference

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

UNII-S33056JLS5 (English)

14 October 2016

1 reference

1 reference

DSSTOX compound identifier

0 references

0 references

1 reference

6 July 2021

CAS no.: 3841-11-0 (English)

Global Substance Registration System

Fluperolone (English)

UNII

S33056JLS5

1 reference

stated in

UNII

S33056JLS5

fluperolone (English)