3-ethyl-1-(4-methylsulfanylphenyl)-3-oxidanyl-pentan-1-one

Systemtic Name: 3-ethyl-1-(4-methylsulfanylphenyl)-3-oxidanyl-pentan-1-one Openeye Name: 3-ethyl-3-hydroxy-1-(4-methylsulfanylphenyl)pentan-1-one CAS Name: 3-ethyl-3-hydroxy-1-[4-(methylthio)phenyl]-1-pentanone IUPAC Name: 3-ethyl-3-hydroxy-1-(4-methylsulfanylphenyl)pentan-1-one Traditional Name: 3-ethyl-3-hydroxy-1-[4-(methylthio)phenyl]pentan-1-one Formula: C14H20O2S MolecularWeight: 252.3724

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC(=O)C1=CC=C(C=C1)SC)O

Isomeric SMILES

CCC(CC)(CC(=O)C1=CC=C(C=C1)SC)O

InChI

InChI=1S/C14H20O2S/c1-4-14(16,5-2)10-13(15)11-6-8-12(17-3)9-7-11/h6-9,16H,4-5,10H2,1-3H3