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Details

Stereochemistry ACHIRAL
Molecular Formula C13H10Cl2O8S2
Molecular Weight 429.25
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,3'-Methylenebis(5-chloro-2-hydroxybenzenesulphonic) acid

SMILES

OC1=C(C=C(Cl)C=C1CC2=CC(Cl)=CC(=C2O)S(O)(=O)=O)S(O)(=O)=O

InChI

InChIKey=BWTRVQLOHGVPIN-UHFFFAOYSA-N
InChI=1S/C13H10Cl2O8S2/c14-8-2-6(12(16)10(4-8)24(18,19)20)1-7-3-9(15)5-11(13(7)17)25(21,22)23/h2-5,16-17H,1H2,(H,18,19,20)(H,21,22,23)

HIDE SMILES / InChI

Molecular Formula C13H10Cl2O8S2
Molecular Weight 429.25
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 11:56:33 GMT 2023
Edited
by admin
on Sat Dec 16 11:56:33 GMT 2023
Record UNII
5XF7XT3A3U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,3'-Methylenebis(5-chloro-2-hydroxybenzenesulphonic) acid
Common Name English
3,3′-Methylenebis[5-chloro-2-hydroxybenzenesulfonic acid]
Systematic Name English
Benzenesulfonic acid, 3,3′-methylenebis[5-chloro-2-hydroxy-
Systematic Name English
Code System Code Type Description
CAS
83817-55-4
Created by admin on Sat Dec 16 11:56:34 GMT 2023 , Edited by admin on Sat Dec 16 11:56:34 GMT 2023
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FDA UNII
5XF7XT3A3U
Created by admin on Sat Dec 16 11:56:34 GMT 2023 , Edited by admin on Sat Dec 16 11:56:34 GMT 2023
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EPA CompTox
DTXSID00232703
Created by admin on Sat Dec 16 11:56:34 GMT 2023 , Edited by admin on Sat Dec 16 11:56:34 GMT 2023
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PUBCHEM
122646
Created by admin on Sat Dec 16 11:56:34 GMT 2023 , Edited by admin on Sat Dec 16 11:56:34 GMT 2023
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ECHA (EC/EINECS)
280-956-5
Created by admin on Sat Dec 16 11:56:34 GMT 2023 , Edited by admin on Sat Dec 16 11:56:34 GMT 2023
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