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Details

Stereochemistry MIXED
Molecular Formula C17H17ClF3NO5
Molecular Weight 407.769
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Ethyl (E)-2-(3-chloro-5-cyanophenoxy)-5-ethoxy-3-hydroxy-3 (trifluoro methyl)pent-4-enoate

SMILES

CCO\C=C\C(O)(C(OC1=CC(Cl)=CC(=C1)C#N)C(=O)OCC)C(F)(F)F

InChI

InChIKey=CHZKSYHNTSOKFA-AATRIKPKSA-N
InChI=1S/C17H17ClF3NO5/c1-3-25-6-5-16(24,17(19,20)21)14(15(23)26-4-2)27-13-8-11(10-22)7-12(18)9-13/h5-9,14,24H,3-4H2,1-2H3/b6-5+

HIDE SMILES / InChI

Molecular Formula C17H17ClF3NO5
Molecular Weight 407.769
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:24:50 GMT 2025
Edited
by admin
on Wed Apr 02 20:24:50 GMT 2025
Record UNII
5Z2C98VG5F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethyl (E)-2-(3-chloro-5-cyanophenoxy)-5-ethoxy-3-hydroxy-3 (trifluoro methyl)pent-4-enoate
Systematic Name English
Ethyl (4E)-2-O-(3-chloro-5-cyanophenyl)-4-deoxy-5-O-ethyl-3-C-(trifluoromethyl)pent-4-enonate
Preferred Name English
Pent-4-enonic acid, 2-O-(3-chloro-5-cyanophenyl)-4-deoxy-5-O-ethyl-3-C-(trifluoromethyl)-, ethyl ester, (4E)-
Systematic Name English
Code System Code Type Description
CAS
1613363-43-1
Created by admin on Wed Apr 02 20:24:50 GMT 2025 , Edited by admin on Wed Apr 02 20:24:50 GMT 2025
PRIMARY
PUBCHEM
90208107
Created by admin on Wed Apr 02 20:24:50 GMT 2025 , Edited by admin on Wed Apr 02 20:24:50 GMT 2025
PRIMARY
FDA UNII
5Z2C98VG5F
Created by admin on Wed Apr 02 20:24:50 GMT 2025 , Edited by admin on Wed Apr 02 20:24:50 GMT 2025
PRIMARY