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Details

Stereochemistry MIXED
Molecular Formula C10H18O10S2
Molecular Weight 362.374
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Propanesulfonic acid, 3,3′-[2-butyne-1,4-diylbis(oxy)]bis[2-hydroxy-

SMILES

OC(COCC#CCOCC(O)CS(O)(=O)=O)CS(O)(=O)=O

InChI

InChIKey=FMVJTYLDBPDVLA-UHFFFAOYSA-N
InChI=1S/C10H18O10S2/c11-9(7-21(13,14)15)5-19-3-1-2-4-20-6-10(12)8-22(16,17)18/h9-12H,3-8H2,(H,13,14,15)(H,16,17,18)

HIDE SMILES / InChI

Molecular Formula C10H18O10S2
Molecular Weight 362.374
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:24:24 GMT 2023
Edited
by admin
on Sat Dec 16 18:24:24 GMT 2023
Record UNII
3PZH6H6U3Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Propanesulfonic acid, 3,3′-[2-butyne-1,4-diylbis(oxy)]bis[2-hydroxy-
Systematic Name English
3,3′-[2-Butyne-1,4-diylbis(oxy)]bis(2-hydroxypropanesulphonic) acid
Systematic Name English
Code System Code Type Description
FDA UNII
3PZH6H6U3Y
Created by admin on Sat Dec 16 18:24:24 GMT 2023 , Edited by admin on Sat Dec 16 18:24:24 GMT 2023
PRIMARY
PUBCHEM
106933
Created by admin on Sat Dec 16 18:24:24 GMT 2023 , Edited by admin on Sat Dec 16 18:24:24 GMT 2023
PRIMARY
EPA CompTox
DTXSID80865997
Created by admin on Sat Dec 16 18:24:24 GMT 2023 , Edited by admin on Sat Dec 16 18:24:24 GMT 2023
PRIMARY
CAS
40456-31-3
Created by admin on Sat Dec 16 18:24:24 GMT 2023 , Edited by admin on Sat Dec 16 18:24:24 GMT 2023
PRIMARY