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Details

Stereochemistry MIXED
Molecular Formula C10H16O10S2.2Na
Molecular Weight 406.338
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-, disodium salt

SMILES

[Na+].[Na+].OC(COCC#CCOCC(O)CS([O-])(=O)=O)CS([O-])(=O)=O

InChI

InChIKey=VTHDORBZEOUGAZ-UHFFFAOYSA-L
InChI=1S/C10H18O10S2.2Na/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);;/q;2*+1/p-2

HIDE SMILES / InChI

Molecular Formula C10H16O10S2
Molecular Weight 360.358
Charge -2
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
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 19:07:43 GMT 2023
Edited
by admin
on Sat Dec 16 19:07:43 GMT 2023
Record UNII
9ZE4YR8HDH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Propanesulfonic acid, 3,3′-[2-butyne-1,4-diylbis(oxy)]bis[2-hydroxy-, disodium salt
Systematic Name English
1-Propanesulfonic acid, 3,3′-[2-butyne-1,4-diylbis(oxy)]bis[2-hydroxy-, sodium salt (1:2)
Systematic Name English
Disodium 3,3'-(2-butyne-1,4-diylbis(oxy))bis(2-hydroxypropanesulphonate)
Systematic Name English
Code System Code Type Description
PUBCHEM
106932
Created by admin on Sat Dec 16 19:07:43 GMT 2023 , Edited by admin on Sat Dec 16 19:07:43 GMT 2023
PRIMARY
CAS
67874-62-8
Created by admin on Sat Dec 16 19:07:43 GMT 2023 , Edited by admin on Sat Dec 16 19:07:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID80889870
Created by admin on Sat Dec 16 19:07:43 GMT 2023 , Edited by admin on Sat Dec 16 19:07:43 GMT 2023
PRIMARY
FDA UNII
9ZE4YR8HDH
Created by admin on Sat Dec 16 19:07:43 GMT 2023 , Edited by admin on Sat Dec 16 19:07:43 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE