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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H21NO3S
Molecular Weight 271.376
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HOT-7

SMILES

CCCSC1=C(OC)C=C(CCNO)C(OC)=C1

InChI

InChIKey=ASTNLROMDNGJLS-UHFFFAOYSA-N
InChI=1S/C13H21NO3S/c1-4-7-18-13-9-11(16-2)10(5-6-14-15)8-12(13)17-3/h8-9,14-15H,4-7H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C13H21NO3S
Molecular Weight 271.376
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
J43NT74JXX
Record Status Validated (UNII)
Record Version