4-oxidanyl-6-[4-(trifluoromethyl)phenyl]sulfanyl-heptan-2-one

Systemtic Name: 4-oxidanyl-6-[4-(trifluoromethyl)phenyl]sulfanyl-heptan-2-one Openeye Name: 4-hydroxy-6-[4-(trifluoromethyl)phenyl]sulfanyl-heptan-2-one CAS Name: 4-hydroxy-6-[[4-(trifluoromethyl)phenyl]thio]-2-heptanone IUPAC Name: 4-hydroxy-6-[4-(trifluoromethyl)phenyl]sulfanylheptan-2-one Traditional Name: 4-hydroxy-6-[[4-(trifluoromethyl)phenyl]thio]heptan-2-one Formula: C14H17F3O2S MolecularWeight: 306.34379

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CC(=O)C)O)SC1=CC=C(C=C1)C(F)(F)F

Isomeric SMILES

CC(CC(CC(=O)C)O)SC1=CC=C(C=C1)C(F)(F)F

InChI

InChI=1S/C14H17F3O2S/c1-9(18)7-12(19)8-10(2)20-13-5-3-11(4-6-13)14(15,16)17/h3-6,10,12,19H,7-8H2,1-2H3