U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C7H7NO5S
Molecular Weight 217.199
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-SULFOANTHRANILIC ACID

SMILES

NC1=C(C=CC=C1C(O)=O)S(O)(=O)=O

InChI

InChIKey=BVRNTWNJWGEKMV-UHFFFAOYSA-N
InChI=1S/C7H7NO5S/c8-6-4(7(9)10)2-1-3-5(6)14(11,12)13/h1-3H,8H2,(H,9,10)(H,11,12,13)

HIDE SMILES / InChI

Molecular Formula C7H7NO5S
Molecular Weight 217.199
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:28:52 GMT 2025
Edited
by admin
on Tue Apr 01 19:28:52 GMT 2025
Record UNII
824W53FH7L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZOIC ACID, 2-AMINO-3-SULFO-
Preferred Name English
3-SULFOANTHRANILIC ACID
Systematic Name English
Code System Code Type Description
CAS
123633-49-8
Created by admin on Tue Apr 01 19:28:52 GMT 2025 , Edited by admin on Tue Apr 01 19:28:52 GMT 2025
PRIMARY
PUBCHEM
19933564
Created by admin on Tue Apr 01 19:28:52 GMT 2025 , Edited by admin on Tue Apr 01 19:28:52 GMT 2025
PRIMARY
FDA UNII
824W53FH7L
Created by admin on Tue Apr 01 19:28:52 GMT 2025 , Edited by admin on Tue Apr 01 19:28:52 GMT 2025
PRIMARY