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Details

Stereochemistry ACHIRAL
Molecular Formula C16H12Cl2O6
Molecular Weight 371.169
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,4?-[1,2-Ethanediylbis(oxy)]bis[3-chlorobenzoic acid]

SMILES

OC(=O)C1=CC=C(OCCOC2=C(Cl)C=C(C=C2)C(O)=O)C(Cl)=C1

InChI

InChIKey=BLTVSIJVJFEGQK-UHFFFAOYSA-N
InChI=1S/C16H12Cl2O6/c17-11-7-9(15(19)20)1-3-13(11)23-5-6-24-14-4-2-10(16(21)22)8-12(14)18/h1-4,7-8H,5-6H2,(H,19,20)(H,21,22)

HIDE SMILES / InChI

Molecular Formula C16H12Cl2O6
Molecular Weight 371.169
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 Tue Apr 01 19:20:51 GMT 2025
Edited
by admin
on Tue Apr 01 19:20:51 GMT 2025
Record UNII
S6UHT7SRD5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,4?-[1,2-Ethanediylbis(oxy)]bis[3-chlorobenzoic acid]
Systematic Name English
4,4?-[1,2-Ethanediylbis(oxy)]bis[3-chlorobenzoic) acid
Preferred Name English
Benzoic acid, 4,4?-[1,2-ethanediylbis(oxy)]bis[3-chloro-
Systematic Name English
Code System Code Type Description
FDA UNII
S6UHT7SRD5
Created by admin on Tue Apr 01 19:20:51 GMT 2025 , Edited by admin on Tue Apr 01 19:20:51 GMT 2025
PRIMARY
PUBCHEM
92662
Created by admin on Tue Apr 01 19:20:51 GMT 2025 , Edited by admin on Tue Apr 01 19:20:51 GMT 2025
PRIMARY
CAS
57101-71-0
Created by admin on Tue Apr 01 19:20:51 GMT 2025 , Edited by admin on Tue Apr 01 19:20:51 GMT 2025
PRIMARY
EPA CompTox
DTXSID70205722
Created by admin on Tue Apr 01 19:20:51 GMT 2025 , Edited by admin on Tue Apr 01 19:20:51 GMT 2025
PRIMARY
ECHA (EC/EINECS)
260-563-5
Created by admin on Tue Apr 01 19:20:51 GMT 2025 , Edited by admin on Tue Apr 01 19:20:51 GMT 2025
PRIMARY