U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C11H10I2N2O4
Molecular Weight 488.017
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,5-BIS(ACETYLAMINO)-2,4-DIIODOBENZOIC ACID

SMILES

CC(=O)NC1=C(I)C(NC(C)=O)=C(I)C(=C1)C(O)=O

InChI

InChIKey=IUTSOSUQGPWYBZ-UHFFFAOYSA-N
InChI=1S/C11H10I2N2O4/c1-4(16)14-7-3-6(11(18)19)8(12)10(9(7)13)15-5(2)17/h3H,1-2H3,(H,14,16)(H,15,17)(H,18,19)

HIDE SMILES / InChI

Molecular Formula C11H10I2N2O4
Molecular Weight 488.017
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
7D91L944D9
Record Status Validated (UNII)
Record Version