U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C5H4Cl4O2
Molecular Weight 237.896
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,4-Dichloro-3-(dichloromethyl)-2-butenoic acid

SMILES

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

InChI

InChIKey=CIYFDLXPMQTVEI-UHFFFAOYSA-N
InChI=1S/C5H4Cl4O2/c6-4(7)2(5(8)9)1-3(10)11/h1,4-5H,(H,10,11)

HIDE SMILES / InChI

Approval Year

Name Type Language
4,4-Dichloro-3-(dichloromethyl)-2-butenoic acid
Systematic Name English
2-Butenoic acid, 4,4-dichloro-3-(dichloromethyl)-
Systematic Name English
3-(Dichloromethyl)-4,4-dichloro-2-butenoic acid
Systematic Name English
Code System Code Type Description
PUBCHEM
60553
Created by admin on Sat Dec 16 19:12:50 GMT 2023 , Edited by admin on Sat Dec 16 19:12:50 GMT 2023
PRIMARY
CAS
112309-62-3
Created by admin on Sat Dec 16 19:12:50 GMT 2023 , Edited by admin on Sat Dec 16 19:12:50 GMT 2023
PRIMARY
FDA UNII
RSW79J3V3F
Created by admin on Sat Dec 16 19:12:50 GMT 2023 , Edited by admin on Sat Dec 16 19:12:50 GMT 2023
PRIMARY
EPA CompTox
DTXSID70149995
Created by admin on Sat Dec 16 19:12:50 GMT 2023 , Edited by admin on Sat Dec 16 19:12:50 GMT 2023
PRIMARY