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Details

Stereochemistry ACHIRAL
Molecular Formula C16H11Cl3O6
Molecular Weight 405.614
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[2-(4-Carboxy-2-chlorophenoxy)ethoxy]-3,5-dichlorobenzoic acid

SMILES

OC(=O)C1=CC=C(OCCOC2=C(Cl)C=C(C=C2Cl)C(O)=O)C(Cl)=C1

InChI

InChIKey=AUXZGERXVFLLTE-UHFFFAOYSA-N
InChI=1S/C16H11Cl3O6/c17-10-5-8(15(20)21)1-2-13(10)24-3-4-25-14-11(18)6-9(16(22)23)7-12(14)19/h1-2,5-7H,3-4H2,(H,20,21)(H,22,23)

HIDE SMILES / InChI

Molecular Formula C16H11Cl3O6
Molecular Weight 405.614
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 12:26:48 GMT 2023
Edited
by admin
on Sat Dec 16 12:26:48 GMT 2023
Record UNII
RD9L9B3C2Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-[2-(4-Carboxy-2-chlorophenoxy)ethoxy]-3,5-dichlorobenzoic acid
Systematic Name English
Benzoic acid, 4-[2-(4-carboxy-2-chlorophenoxy)ethoxy]-3,5-dichloro-
Systematic Name English
Code System Code Type Description
FDA UNII
RD9L9B3C2Z
Created by admin on Sat Dec 16 12:26:48 GMT 2023 , Edited by admin on Sat Dec 16 12:26:48 GMT 2023
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CAS
94023-73-1
Created by admin on Sat Dec 16 12:26:48 GMT 2023 , Edited by admin on Sat Dec 16 12:26:48 GMT 2023
PRIMARY
EPA CompTox
DTXSID20240325
Created by admin on Sat Dec 16 12:26:48 GMT 2023 , Edited by admin on Sat Dec 16 12:26:48 GMT 2023
PRIMARY
ECHA (EC/EINECS)
301-672-0
Created by admin on Sat Dec 16 12:26:48 GMT 2023 , Edited by admin on Sat Dec 16 12:26:48 GMT 2023
PRIMARY
PUBCHEM
3023350
Created by admin on Sat Dec 16 12:26:48 GMT 2023 , Edited by admin on Sat Dec 16 12:26:48 GMT 2023
PRIMARY