U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C11H16INO2
Molecular Weight 321.1547
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DOI, (S)-

SMILES

COC1=CC(I)=C(OC)C=C1C[C@H](C)N

InChI

InChIKey=BGMZUEKZENQUJY-ZETCQYMHSA-N
InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H16INO2
Molecular Weight 321.1547
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
PEE2H42YDH
Record Status Validated (UNII)
Record Version