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Details

Stereochemistry ACHIRAL
Molecular Formula C6H4O8S2.2Na
Molecular Weight 314.201
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TIRON

SMILES

[Na+].[Na+].OC1=C(O)C(=CC(=C1)S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=ISWQCIVKKSOKNN-UHFFFAOYSA-L
InChI=1S/C6H6O8S2.2Na/c7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14;;/h1-2,7-8H,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6H4O8S2
Molecular Weight 268.221
Charge -2
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
4X87R5T106
Record Status Validated (UNII)
Record Version