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Details

Stereochemistry ACHIRAL
Molecular Formula C5H3Cl3O3
Molecular Weight 217.435
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2,4,4-TRICHLORO-3-FORMYL-2-BUTENOIC ACID, (2E)-

SMILES

OC(=O)C(\Cl)=C(\C=O)C(Cl)Cl

InChI

InChIKey=BYYQBAWEAGLGPF-NSCUHMNNSA-N
InChI=1S/C5H3Cl3O3/c6-3(5(10)11)2(1-9)4(7)8/h1,4H,(H,10,11)/b3-2+

HIDE SMILES / InChI

Molecular Formula C5H3Cl3O3
Molecular Weight 217.435
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:50:23 GMT 2023
Edited
by admin
on Sat Dec 16 08:50:23 GMT 2023
Record UNII
31GT1LW79B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4,4-TRICHLORO-3-FORMYL-2-BUTENOIC ACID, (2E)-
Common Name English
(E)-3-FORMYL-2,4,4-TRICHLORO-2-BUTENOIC ACID [HSDB]
Common Name English
(E)-2-CHLORO-3-(DICHLOROMETHYL)-4-OXOBUTENOIC ACID
Systematic Name English
2-CHLORO-3-(DICHLOROMETHYL)-4-OXOBUTENOIC ACID
Systematic Name English
E-MX
Brand Name English
2-BUTENOIC ACID, 3-FORMYL-2,4,4-TRICHLORO-, (E)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID1021536
Created by admin on Sat Dec 16 08:50:23 GMT 2023 , Edited by admin on Sat Dec 16 08:50:23 GMT 2023
PRIMARY
HSDB
7634
Created by admin on Sat Dec 16 08:50:23 GMT 2023 , Edited by admin on Sat Dec 16 08:50:23 GMT 2023
PRIMARY
FDA UNII
31GT1LW79B
Created by admin on Sat Dec 16 08:50:23 GMT 2023 , Edited by admin on Sat Dec 16 08:50:23 GMT 2023
PRIMARY
PUBCHEM
3034383
Created by admin on Sat Dec 16 08:50:23 GMT 2023 , Edited by admin on Sat Dec 16 08:50:23 GMT 2023
PRIMARY
CAS
115340-67-5
Created by admin on Sat Dec 16 08:50:23 GMT 2023 , Edited by admin on Sat Dec 16 08:50:23 GMT 2023
PRIMARY