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Details

Stereochemistry ACHIRAL
Molecular Formula C16H11AsN2O10S2.2Na
Molecular Weight 576.297
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Thorin

SMILES

[Na+].[Na+].OC1=C(\N=N\C2=CC=CC=C2[As](O)(O)=O)C3=CC=C(C=C3C=C1S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=DCSRPHQBFSYJNN-BUFQOAPZSA-L
InChI=1S/C16H13AsN2O10S2.2Na/c20-16-14(31(27,28)29)8-9-7-10(30(24,25)26)5-6-11(9)15(16)19-18-13-4-2-1-3-12(13)17(21,22)23;;/h1-8,20H,(H2,21,22,23)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/b19-18+;;

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 C16H11AsN2O10S2
Molecular Weight 530.318
Charge -2
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
LFP7CNK4M5
Record Status Validated (UNII)
Record Version