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Details

Stereochemistry ACHIRAL
Molecular Formula C20H44NO.H2O4P
Molecular Weight 411.5567
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYDROXYETHYL CETYLDIMONIUM PHOSPHATE

SMILES

OP(O)([O-])=O.CCCCCCCCCCCCCCCC[N+](C)(C)CCO

InChI

InChIKey=SGZVXLFVBKDMJH-UHFFFAOYSA-M
InChI=1S/C20H44NO.H3O4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2,3)19-20-22;1-5(2,3)4/h22H,4-20H2,1-3H3;(H3,1,2,3,4)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula H2O4P
Molecular Weight 96.9872
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 C20H44NO
Molecular Weight 314.5695
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

Substance Class Chemical
Record UNII
9G05UO431K
Record Status Validated (UNII)
Record Version