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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H18N2O5.C4H5NO4S
Molecular Weight 457.455
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ASPARTAME ACESULFAME

SMILES

CC1=CC(=O)NS(=O)(=O)O1.COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](N)CC(O)=O

InChI

InChIKey=KVHQNWGLVVERFR-ACMTZBLWSA-N
InChI=1S/C14H18N2O5.C4H5NO4S/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18;1-3-2-4(6)5-10(7,8)9-3/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18);2H,1H3,(H,5,6)/t10-,11-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C4H5NO4S
Molecular Weight 163.152
Charge 0
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 C14H18N2O5
Molecular Weight 294.3031
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
IFE6C6BS24
Record Status Validated (UNII)
Record Version