U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C12H13NO5S
Molecular Weight 283.3
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SACCHARIN N-(2-ACETIC ACID ISOPROPYL ESTER)

SMILES

CC(C)OC(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChIKey=FULJHFVTOIYTGS-UHFFFAOYSA-N
InChI=1S/C12H13NO5S/c1-8(2)18-11(14)7-13-12(15)9-5-3-4-6-10(9)19(13,16)17/h3-6,8H,7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H13NO5S
Molecular Weight 283.3
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

Approval Year

Patents

Substance Class Chemical
Record UNII
TD39BF075K
Record Status Validated (UNII)
Record Version