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

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H18INO2
Molecular Weight 395.2348
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of INER

SMILES

[H][C@]1(CNCCO1)[C@@H](OC2=CC=CC=C2I)C3=CC=CC=C3

InChI

InChIKey=BHMLFPOTZYRDKA-IRXDYDNUSA-N
InChI=1S/C17H18INO2/c18-14-8-4-5-9-15(14)21-17(13-6-2-1-3-7-13)16-12-19-10-11-20-16/h1-9,16-17,19H,10-12H2/t16-,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H18INO2
Molecular Weight 395.2348
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
S0FNI6N4JS
Record Status Validated (UNII)
Record Version