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Details

Stereochemistry ACHIRAL
Molecular Formula C20H20Cl3NO3
Molecular Weight 428.737
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[Ethyl(4-formyl-3-methylphenyl)amino]ethyl 4-(trichloromethyl)benzoate

SMILES

CCN(CCOC(=O)C1=CC=C(C=C1)C(Cl)(Cl)Cl)C2=CC=C(C=O)C(C)=C2

InChI

InChIKey=VONXKBUMASGSSI-UHFFFAOYSA-N
InChI=1S/C20H20Cl3NO3/c1-3-24(18-9-6-16(13-25)14(2)12-18)10-11-27-19(26)15-4-7-17(8-5-15)20(21,22)23/h4-9,12-13H,3,10-11H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C20H20Cl3NO3
Molecular Weight 428.737
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:23:26 GMT 2023
Edited
by admin
on Sat Dec 16 12:23:26 GMT 2023
Record UNII
TRL2RR6948
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[Ethyl(4-formyl-3-methylphenyl)amino]ethyl 4-(trichloromethyl)benzoate
Systematic Name English
Benzoic acid, 4-(trichloromethyl)-, 2-[ethyl(4-formyl-3-methylphenyl)amino]ethyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
TRL2RR6948
Created by admin on Sat Dec 16 12:23:26 GMT 2023 , Edited by admin on Sat Dec 16 12:23:26 GMT 2023
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CAS
86626-74-6
Created by admin on Sat Dec 16 12:23:26 GMT 2023 , Edited by admin on Sat Dec 16 12:23:26 GMT 2023
PRIMARY
ECHA (EC/EINECS)
289-264-8
Created by admin on Sat Dec 16 12:23:26 GMT 2023 , Edited by admin on Sat Dec 16 12:23:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID00235714
Created by admin on Sat Dec 16 12:23:26 GMT 2023 , Edited by admin on Sat Dec 16 12:23:26 GMT 2023
PRIMARY
PUBCHEM
3021127
Created by admin on Sat Dec 16 12:23:26 GMT 2023 , Edited by admin on Sat Dec 16 12:23:26 GMT 2023
PRIMARY