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

Systemtic Name: 1-[2-oxidanyl-3-propyl-4-(sulfanylmethyl)phenyl]ethanone Openeye Name: 1-[2-hydroxy-3-propyl-4-(sulfanylmethyl)phenyl]ethanone CAS Name: 1-[2-hydroxy-4-(mercaptomethyl)-3-propylphenyl]ethanone IUPAC Name: 1-[2-hydroxy-3-propyl-4-(sulfanylmethyl)phenyl]ethanone Traditional Name: 1-[2-hydroxy-4-(mercaptomethyl)-3-propyl-phenyl]ethanone Formula: C12H16O2S MolecularWeight: 224.31924

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)CS

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)CS

InChI

InChI=1S/C12H16O2S/c1-3-4-11-9(7-15)5-6-10(8(2)13)12(11)14/h5-6,14-15H,3-4,7H2,1-2H3