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Details

Stereochemistry ACHIRAL
Molecular Formula C11H18O10S2
Molecular Weight 374.385
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Bis(3-sulfopropyl) itaconate

SMILES

OS(=O)(=O)CCCOC(=O)CC(=C)C(=O)OCCCS(O)(=O)=O

InChI

InChIKey=BYLRZCIZXYKLQL-UHFFFAOYSA-N
InChI=1S/C11H18O10S2/c1-9(11(13)21-5-3-7-23(17,18)19)8-10(12)20-4-2-6-22(14,15)16/h1-8H2,(H,14,15,16)(H,17,18,19)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1,4-Bis(3-sulfopropyl) 2-methylenebutanedioate
Preferred Name English
Bis(3-sulfopropyl) itaconate
Common Name English
Butanedioic acid, 2-methylene-, 1,4-bis(3-sulfopropyl) ester
Systematic Name English
Code System Code Type Description
CAS
117520-67-9
Created by admin on Wed Apr 02 21:17:49 GMT 2025 , Edited by admin on Wed Apr 02 21:17:49 GMT 2025
PRIMARY
PUBCHEM
3022592
Created by admin on Wed Apr 02 21:17:49 GMT 2025 , Edited by admin on Wed Apr 02 21:17:49 GMT 2025
PRIMARY
FDA UNII
XL5FE25JSY
Created by admin on Wed Apr 02 21:17:49 GMT 2025 , Edited by admin on Wed Apr 02 21:17:49 GMT 2025
PRIMARY
NIH
NCATS
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