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Details

Stereochemistry ACHIRAL
Molecular Formula C10H9I3N2O4
Molecular Weight 601.9029
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-AMINO-5-(((2-HYDROXYETHYL)AMINO)CARBONYL)-2,4,6-TRIIODOBENZOIC ACID

SMILES

NC1=C(I)C(C(=O)NCCO)=C(I)C(C(O)=O)=C1I

InChI

InChIKey=WGLWRCXOMJLZME-UHFFFAOYSA-N
InChI=1S/C10H9I3N2O4/c11-5-3(9(17)15-1-2-16)6(12)8(14)7(13)4(5)10(18)19/h16H,1-2,14H2,(H,15,17)(H,18,19)

HIDE SMILES / InChI

Molecular Formula C10H9I3N2O4
Molecular Weight 601.9029
Charge 0
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
P2DB4YR43F
Record Status Validated (UNII)
Record Version