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Details

Stereochemistry ACHIRAL
Molecular Formula C11H8I4N2O4
Molecular Weight 739.8101
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

CC(=O)NC1=C(I)C(C(O)=O)=C(I)C(NC(=O)CI)=C1I

InChI

InChIKey=NQRXWQQHOZPKKD-UHFFFAOYSA-N
InChI=1S/C11H8I4N2O4/c1-3(18)16-9-6(13)5(11(20)21)7(14)10(8(9)15)17-4(19)2-12/h2H2,1H3,(H,16,18)(H,17,19)(H,20,21)

HIDE SMILES / InChI

Molecular Formula C11H8I4N2O4
Molecular Weight 739.8101
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
VC92MN4TAY
Record Status Validated (UNII)
Record Version