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

Details

Stereochemistry ACHIRAL
Molecular Formula C39H42O2
Molecular Weight 542.7496
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NANOKID

SMILES

CCCC#CC1=CC(=CC(=C1)C#CCCC)C#CC2=C(C=C(C3OCCO3)C(=C2)C#CC(C)(C)C)C#CC(C)(C)C

InChI

InChIKey=LEXBNEYPTZBYBE-UHFFFAOYSA-N
InChI=1S/C39H42O2/c1-9-11-13-15-30-25-31(16-14-12-10-2)27-32(26-30)17-18-33-28-35(20-22-39(6,7)8)36(37-40-23-24-41-37)29-34(33)19-21-38(3,4)5/h25-29,37H,9-12,23-24H2,1-8H3

HIDE SMILES / InChI

Molecular Formula C39H42O2
Molecular Weight 542.7496
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
Y83XMS9542
Record Status Validated (UNII)
Record Version