1-(2-methoxy-3-propyl-4-sulfanyl-phenyl)ethanone

Systemtic Name: 1-(2-methoxy-3-propyl-4-sulfanyl-phenyl)ethanone Openeye Name: 1-(2-methoxy-3-propyl-4-sulfanyl-phenyl)ethanone CAS Name: 1-(4-mercapto-2-methoxy-3-propylphenyl)ethanone IUPAC Name: 1-(2-methoxy-3-propyl-4-sulfanylphenyl)ethanone Traditional Name: 1-(4-mercapto-2-methoxy-3-propyl-phenyl)ethanone Formula: C12H16O2S MolecularWeight: 224.31924

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OC)C(=O)C)S

Isomeric SMILES

CCCC1=C(C=CC(=C1OC)C(=O)C)S

InChI

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