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Details

Stereochemistry ACHIRAL
Molecular Formula C12H11N4O3S.Na
Molecular Weight 314.296
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DIRECT BROWN 191

SMILES

[Na+].NC1=CC=C(\N=N\C2=CC=C(C=C2)S([O-])(=O)=O)C(N)=C1

InChI

InChIKey=UMTLYUSRNLIFQI-GEEYTBSJSA-M
InChI=1S/C12H12N4O3S.Na/c13-8-1-6-12(11(14)7-8)16-15-9-2-4-10(5-3-9)20(17,18)19;/h1-7H,13-14H2,(H,17,18,19);/q;+1/p-1/b16-15+;

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 C12H11N4O3S
Molecular Weight 291.306
Charge -1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
E5QSL16799
Record Status Validated (UNII)
Record Version