1-[4-(3-chloranylpropylsulfanyl)-3-propyl-phenyl]-2-oxidanyl-ethanone

Systemtic Name: 1-[4-(3-chloranylpropylsulfanyl)-3-propyl-phenyl]-2-oxidanyl-ethanone Openeye Name: 1-[4-(3-chloropropylsulfanyl)-3-propyl-phenyl]-2-hydroxy-ethanone CAS Name: 1-[4-(3-chloropropylthio)-3-propylphenyl]-2-hydroxyethanone IUPAC Name: 1-[4-(3-chloropropylsulfanyl)-3-propylphenyl]-2-hydroxyethanone Traditional Name: 1-[4-(3-chloropropylthio)-3-propyl-phenyl]-2-hydroxy-ethanone Formula: C14H19ClO2S MolecularWeight: 286.81746

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)CO)SCCCCl

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)CO)SCCCCl

InChI

InChI=1S/C14H19ClO2S/c1-2-4-12-9-11(13(17)10-16)5-6-14(12)18-8-3-7-15/h5-6,9,16H,2-4,7-8,10H2,1H3