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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H14INO4
Molecular Weight 399.1804
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3'-IODOTHYRONINE

SMILES

N[C@@H](CC1=CC=C(OC2=CC=C(O)C(I)=C2)C=C1)C(O)=O

InChI

InChIKey=RUIUIJSMLKJUDC-ZDUSSCGKSA-N
InChI=1S/C15H14INO4/c16-12-8-11(5-6-14(12)18)21-10-3-1-9(2-4-10)7-13(17)15(19)20/h1-6,8,13,18H,7,17H2,(H,19,20)/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H14INO4
Molecular Weight 399.1804
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
NM2RL113ZR
Record Status Validated (UNII)
Record Version