1-(3-methoxy-4-sulfanyl-phenyl)pentan-1-one

Systemtic Name: 1-(3-methoxy-4-sulfanyl-phenyl)pentan-1-one Openeye Name: 1-(3-methoxy-4-sulfanyl-phenyl)pentan-1-one CAS Name: 1-(4-mercapto-3-methoxyphenyl)-1-pentanone IUPAC Name: 1-(3-methoxy-4-sulfanylphenyl)pentan-1-one Traditional Name: 1-(4-mercapto-3-methoxy-phenyl)pentan-1-one Formula: C12H16O2S MolecularWeight: 224.31924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=CC(=C(C=C1)S)OC

Isomeric SMILES

CCCCC(=O)C1=CC(=C(C=C1)S)OC

InChI

InChI=1S/C12H16O2S/c1-3-4-5-10(13)9-6-7-12(15)11(8-9)14-2/h6-8,15H,3-5H2,1-2H3