4-methoxy-8-(phenylmethylsulfanyl)octan-2-one

Systemtic Name: 4-methoxy-8-(phenylmethylsulfanyl)octan-2-one Openeye Name: 8-benzylsulfanyl-4-methoxy-octan-2-one CAS Name: 4-methoxy-8-(phenylmethylthio)-2-octanone IUPAC Name: 8-benzylsulfanyl-4-methoxyoctan-2-one Traditional Name: 8-(benzylthio)-4-methoxy-octan-2-one Formula: C16H24O2S MolecularWeight: 280.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CCCCSCC1=CC=CC=C1)OC

Isomeric SMILES

CC(=O)CC(CCCCSCC1=CC=CC=C1)OC

InChI

InChI=1S/C16H24O2S/c1-14(17)12-16(18-2)10-6-7-11-19-13-15-8-4-3-5-9-15/h3-5,8-9,16H,6-7,10-13H2,1-2H3