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Details

Stereochemistry ACHIRAL
Molecular Formula C8H5NO6
Molecular Weight 211.1284
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Nitroisophthalic acid

SMILES

OC(=O)C1=CC=C(C(=C1)C(O)=O)[N+]([O-])=O

InChI

InChIKey=OCJFXVHDIVAONP-UHFFFAOYSA-N
InChI=1S/C8H5NO6/c10-7(11)4-1-2-6(9(14)15)5(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1,3-Benzenedicarboxylic acid, 4-nitro-
Preferred Name English
4-Nitroisophthalic acid
Systematic Name English
4-Nitro-1,3-benzenedicarboxylic acid
Systematic Name English
Code System Code Type Description
PUBCHEM
3062438
Created by admin on Wed Apr 02 18:12:22 GMT 2025 , Edited by admin on Wed Apr 02 18:12:22 GMT 2025
PRIMARY
FDA UNII
C3744RDR3S
Created by admin on Wed Apr 02 18:12:22 GMT 2025 , Edited by admin on Wed Apr 02 18:12:22 GMT 2025
PRIMARY
EPA CompTox
DTXSID20388913
Created by admin on Wed Apr 02 18:12:22 GMT 2025 , Edited by admin on Wed Apr 02 18:12:22 GMT 2025
PRIMARY
CAS
4315-09-7
Created by admin on Wed Apr 02 18:12:22 GMT 2025 , Edited by admin on Wed Apr 02 18:12:22 GMT 2025
PRIMARY
NIH
NCATS
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