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Details

Stereochemistry RACEMIC
Molecular Formula C15H13I2NO4
Molecular Weight 525.077
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,3'-DIIODOTHYRONINE, DL-

SMILES

NC(CC1=CC=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C(O)=O

InChI

InChIKey=CPCJBZABTUOGNM-UHFFFAOYSA-N
InChI=1S/C15H13I2NO4/c16-10-7-9(2-3-13(10)19)22-14-4-1-8(5-11(14)17)6-12(18)15(20)21/h1-5,7,12,19H,6,18H2,(H,20,21)

HIDE SMILES / InChI

Molecular Formula C15H13I2NO4
Molecular Weight 525.077
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
GNC4MZ8B3Q
Record Status Validated (UNII)
Record Version