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Details

Stereochemistry RACEMIC
Molecular Formula C22H39N2O5.2Na.HO
Molecular Weight 474.5423
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DISODIUM 1-(2-(2-CARBOXYETHOXY)ETHYL)-1-(2-CARBOXYETHYL)-4,5-DIHYDRO-2-UNDECYL-1H-IMIDAZOLIUM HYDROXIDE

SMILES

[OH-].[Na+].[Na+].CCCCCCCCCCCC1=NCC[N+]1(CCOCCC([O-])=O)CCC([O-])=O

InChI

InChIKey=SMQFXDSODUOFHN-UHFFFAOYSA-L
InChI=1S/C22H40N2O5.2Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-20-23-14-16-24(20,15-12-21(25)26)17-19-29-18-13-22(27)28;;;/h2-19H2,1H3,(H-,25,26,27,28);;;1H2/q;2*+1;/p-2

HIDE SMILES / InChI

Approval Year

Name Type Language
1H-IMIDAZOLIUM, 1-(2-(2-CARBOXYETHOXY)ETHYL)-1-(2-CARBOXYETHYL)-4,5-DIHYDRO-2-UNDECYL-, HYDROXIDE, DISODIUM SALT
Preferred Name English
DISODIUM 1-(2-(2-CARBOXYETHOXY)ETHYL)-1-(2-CARBOXYETHYL)-4,5-DIHYDRO-2-UNDECYL-1H-IMIDAZOLIUM HYDROXIDE
Systematic Name English
1H-IMIDAZOLIUM, 1-(2-(2-CARBOXYETHOXY)ETHYL)-1-(2-CARBOXYETHYL)-4,5-DIHYDRO-2-UNDECYL-, HYDROXIDE, SODIUM SALT (1:1:2)
Systematic Name English
Code System Code Type Description
CAS
68929-04-4
Created by admin on Mon Mar 31 22:03:58 GMT 2025 , Edited by admin on Mon Mar 31 22:03:58 GMT 2025
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EPA CompTox
DTXSID801019804
Created by admin on Mon Mar 31 22:03:58 GMT 2025 , Edited by admin on Mon Mar 31 22:03:58 GMT 2025
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ECHA (EC/EINECS)
273-035-4
Created by admin on Mon Mar 31 22:03:58 GMT 2025 , Edited by admin on Mon Mar 31 22:03:58 GMT 2025
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PUBCHEM
111817
Created by admin on Mon Mar 31 22:03:58 GMT 2025 , Edited by admin on Mon Mar 31 22:03:58 GMT 2025
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FDA UNII
WU937CKL4U
Created by admin on Mon Mar 31 22:03:58 GMT 2025 , Edited by admin on Mon Mar 31 22:03:58 GMT 2025
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