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Details

Stereochemistry ACHIRAL
Molecular Formula C22H44N.C2H5O4S
Molecular Weight 447.715
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of LINOLEYLETHYLDIMONIUM ETHOSULFATE

SMILES

CCOS([O-])(=O)=O.CCCCC\C=C/C\C=C/CCCCCCCC[N+](C)(C)CC

InChI

InChIKey=ITDMAOLWRAGOJG-LYJODMERSA-M
InChI=1S/C22H44N.C2H6O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(3,4)6-2;1-2-6-7(3,4)5/h10-11,13-14H,5-9,12,15-22H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1/b11-10-,14-13-;

HIDE SMILES / InChI

Molecular Formula C2H5O4S
Molecular Weight 125.124
Charge -1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C22H44N
Molecular Weight 322.5915
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
5DOU871LRS
Record Status Validated (UNII)
Record Version