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Details

Stereochemistry ACHIRAL
Molecular Formula C7H5NO5.H2O
Molecular Weight 201.1336
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-NITROSALICYLIC ACID MONOHYDRATE

SMILES

O.OC(=O)C1=CC=CC(=C1O)[N+]([O-])=O

InChI

InChIKey=YHNHHNVDJZTXJO-UHFFFAOYSA-N
InChI=1S/C7H5NO5.H2O/c9-6-4(7(10)11)2-1-3-5(6)8(12)13;/h1-3,9H,(H,10,11);1H2

HIDE SMILES / InChI

Molecular Formula C7H5NO5
Molecular Weight 183.1183
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Mitochondrial oxidative stress and nitrate tolerance--comparison of nitroglycerin and pentaerithrityl tetranitrate in Mn-SOD+/- mice.
2006 Nov 8
Substance Class Chemical
Created
by admin
on Sat Dec 16 03:59:39 UTC 2023
Edited
by admin
on Sat Dec 16 03:59:39 UTC 2023
Record UNII
PAE00V8YIW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-NITROSALICYLIC ACID MONOHYDRATE
MI  
Systematic Name English
SALICYLIC ACID, 3-NITRO-, HYDRATE
Common Name English
BENZOIC ACID, 2-HYDROXY-3-NITRO-, HYDRATE (1:1)
Common Name English
3-NITROSALICYLIC ACID MONOHYDRATE [MI]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID80209110
Created by admin on Sat Dec 16 03:59:39 UTC 2023 , Edited by admin on Sat Dec 16 03:59:39 UTC 2023
PRIMARY
FDA UNII
PAE00V8YIW
Created by admin on Sat Dec 16 03:59:39 UTC 2023 , Edited by admin on Sat Dec 16 03:59:39 UTC 2023
PRIMARY
PUBCHEM
71586850
Created by admin on Sat Dec 16 03:59:39 UTC 2023 , Edited by admin on Sat Dec 16 03:59:39 UTC 2023
PRIMARY
MERCK INDEX
m7987
Created by admin on Sat Dec 16 03:59:39 UTC 2023 , Edited by admin on Sat Dec 16 03:59:39 UTC 2023
PRIMARY Merck Index
CAS
6035-14-9
Created by admin on Sat Dec 16 03:59:39 UTC 2023 , Edited by admin on Sat Dec 16 03:59:39 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE