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Details

Stereochemistry ACHIRAL
Molecular Formula C12H6Cl2IO.HO4S
Molecular Weight 461.056
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,7-DICHLOROPHENIODOXIN-5-IUM BISULFATE

SMILES

OS([O-])(=O)=O.ClC1=CC2=C(OC3=C([I+]2)C=C(Cl)C=C3)C=C1

InChI

InChIKey=OVFAFJQGBAMEIB-UHFFFAOYSA-M
InChI=1S/C12H6Cl2IO.H2O4S/c13-7-1-3-11-9(5-7)15-10-6-8(14)2-4-12(10)16-11;1-5(2,3)4/h1-6H;(H2,1,2,3,4)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C12H6Cl2IO
Molecular Weight 363.986
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 HO4S
Molecular Weight 97.071
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

Substance Class Chemical
Record UNII
969C8VA30G
Record Status Validated (UNII)
Record Version