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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H8N2O3
Molecular Weight 252.2249
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 1,1'-OXYBIS(4-ISOCYANATOBENZENE)

SMILES

O=C=NC1=CC=C(OC2=CC=C(C=C2)N=C=O)C=C1

InChI

InChIKey=KDLIYVDINLSKGR-UHFFFAOYSA-N
InChI=1S/C14H8N2O3/c17-9-15-11-1-5-13(6-2-11)19-14-7-3-12(4-8-14)16-10-18/h1-8H

HIDE SMILES / InChI

Molecular Formula C14H8N2O3
Molecular Weight 252.2249
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
FY74W1G2FI
Record Status Validated (UNII)
Record Version