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Details

Stereochemistry ACHIRAL
Molecular Formula C13H10Cl2O5S
Molecular Weight 349.187
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-CHLORO-3-((5-CHLORO-2-HYDROXYPHENYL)METHYL)-2-HYDROXYBENZENESULFONIC ACID

SMILES

OC1=CC=C(Cl)C=C1CC2=C(O)C(=CC(Cl)=C2)S(O)(=O)=O

InChI

InChIKey=HZCMTSWVWXUEDR-UHFFFAOYSA-N
InChI=1S/C13H10Cl2O5S/c14-9-1-2-11(16)7(4-9)3-8-5-10(15)6-12(13(8)17)21(18,19)20/h1-2,4-6,16-17H,3H2,(H,18,19,20)

HIDE SMILES / InChI

Molecular Formula C13H10Cl2O5S
Molecular Weight 349.187
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 12:51:50 GMT 2023
Edited
by admin
on Sat Dec 16 12:51:50 GMT 2023
Record UNII
MG6NQ73XIA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-CHLORO-3-((5-CHLORO-2-HYDROXYPHENYL)METHYL)-2-HYDROXYBENZENESULFONIC ACID
Systematic Name English
BENZENESULFONIC ACID, 5-CHLORO-3-((5-CHLORO-2-HYDROXYPHENYL)METHYL)-2-HYDROXY-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
280-957-0
Created by admin on Sat Dec 16 12:51:50 GMT 2023 , Edited by admin on Sat Dec 16 12:51:50 GMT 2023
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CAS
83817-56-5
Created by admin on Sat Dec 16 12:51:50 GMT 2023 , Edited by admin on Sat Dec 16 12:51:50 GMT 2023
PRIMARY
EPA CompTox
DTXSID60232704
Created by admin on Sat Dec 16 12:51:50 GMT 2023 , Edited by admin on Sat Dec 16 12:51:50 GMT 2023
PRIMARY
PUBCHEM
3019369
Created by admin on Sat Dec 16 12:51:50 GMT 2023 , Edited by admin on Sat Dec 16 12:51:50 GMT 2023
PRIMARY
FDA UNII
MG6NQ73XIA
Created by admin on Sat Dec 16 12:51:50 GMT 2023 , Edited by admin on Sat Dec 16 12:51:50 GMT 2023
PRIMARY