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 C6H3N2O5.Na
Molecular Weight 206.0882
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 2,6-DINITROPHENOLATE

SMILES

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

InChI

InChIKey=UJUDRTXLMKTXOL-UHFFFAOYSA-M
InChI=1S/C6H4N2O5.Na/c9-6-4(7(10)11)2-1-3-5(6)8(12)13;/h1-3,9H;/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6H3N2O5
Molecular Weight 183.0984
Charge -1
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

PubMed

Substance Class Chemical
Record UNII
97F2N03ZK6
Record Status Validated (UNII)
Record Version