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

Details

Stereochemistry MIXED
Molecular Formula C17H29NO3S
Molecular Weight 327.482
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SETHOXYDIM

SMILES

CCC\C(=N/OCC)C1=C(O)CC(CC(C)SCC)CC1=O

InChI

InChIKey=CSPPKDPQLUUTND-NBVRZTHBSA-N
InChI=1S/C17H29NO3S/c1-5-8-14(18-21-6-2)17-15(19)10-13(11-16(17)20)9-12(4)22-7-3/h12-13,19H,5-11H2,1-4H3/b18-14+

HIDE SMILES / InChI

Molecular Formula C17H29NO3S
Molecular Weight 327.482
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
1189NNQ8F6
Record Status Validated (UNII)
Record Version