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Details

Stereochemistry ACHIRAL
Molecular Formula C7H6NO4.Na
Molecular Weight 191.1166
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 5-NITROGUAIACOLATE

SMILES

[Na+].COC1=CC=C(C=C1[O-])[N+]([O-])=O

InChI

InChIKey=KBRKFTKQRMYINW-UHFFFAOYSA-M
InChI=1S/C7H7NO4.Na/c1-12-7-3-2-5(8(10)11)4-6(7)9;/h2-4,9H,1H3;/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C7H6NO4
Molecular Weight 168.1268
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:51:47 GMT 2023
Edited
by admin
on Fri Dec 15 19:51:47 GMT 2023
Record UNII
A1RBP9328O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM 5-NITROGUAIACOLATE
INCI  
INCI  
Official Name English
SODIUM 2-METHOXY-5-NITROPHENOLATE
Systematic Name English
SODIUM 2-METHOXY-5-NITROPHENOXIDE
Systematic Name English
PHENOL, 2-METHOXY-5-NITRO-, SODIUM SALT (1:1)
Common Name English
ATONIK
Brand Name English
5-NGSS
Brand Name English
SODIUM 5-NITROGUAIACOLATE [INCI]
Common Name English
5-NITROGUAIACOL, SODIUM SALT
Common Name English
2-METHOXY-5-NITROPHENOL, SODIUM SALT
Common Name English
Code System Code Type Description
FDA UNII
A1RBP9328O
Created by admin on Fri Dec 15 19:51:47 GMT 2023 , Edited by admin on Fri Dec 15 19:51:47 GMT 2023
PRIMARY
CAS
67233-85-6
Created by admin on Fri Dec 15 19:51:47 GMT 2023 , Edited by admin on Fri Dec 15 19:51:47 GMT 2023
PRIMARY
EPA CompTox
DTXSID0035790
Created by admin on Fri Dec 15 19:51:47 GMT 2023 , Edited by admin on Fri Dec 15 19:51:47 GMT 2023
PRIMARY
PUBCHEM
3017748
Created by admin on Fri Dec 15 19:51:47 GMT 2023 , Edited by admin on Fri Dec 15 19:51:47 GMT 2023
PRIMARY