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Details

Stereochemistry ACHIRAL
Molecular Formula C23H46NO5.CH3O4S
Molecular Weight 527.712
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DICAPRYLOYLETHYL HYDROXYETHYLMONIUM METHOSULFATE

SMILES

COS([O-])(=O)=O.CCCCCCCC(=O)OCC[N+](C)(CCO)CCOC(=O)CCCCCCC

InChI

InChIKey=RNZVJRCYHQMGNH-UHFFFAOYSA-M
InChI=1S/C23H46NO5.CH4O4S/c1-4-6-8-10-12-14-22(26)28-20-17-24(3,16-19-25)18-21-29-23(27)15-13-11-9-7-5-2;1-5-6(2,3)4/h25H,4-21H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula CH3O4S
Molecular Weight 111.097
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 C23H46NO5
Molecular Weight 416.615
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Substance Class Chemical
Record UNII
62FKR33F5O
Record Status Validated (UNII)
Record Version