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 C8H9NO4S
Molecular Weight 215.226
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-ACETYLSULFANILIC ACID

SMILES

CC(=O)NC1=CC=C(C=C1)S(O)(=O)=O

InChI

InChIKey=ZQPVMSLLKQTRMG-UHFFFAOYSA-N
InChI=1S/C8H9NO4S/c1-6(10)9-7-2-4-8(5-3-7)14(11,12)13/h2-5H,1H3,(H,9,10)(H,11,12,13)

HIDE SMILES / InChI

Molecular Formula C8H9NO4S
Molecular Weight 215.226
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

Substance Class Chemical
Record UNII
9B6H3LU885
Record Status Validated (UNII)
Record Version