5-(3-butylsulfanyl-4-methoxy-phenyl)oxan-2-one

Systemtic Name: 5-(3-butylsulfanyl-4-methoxy-phenyl)oxan-2-one Openeye Name: 5-(3-butylsulfanyl-4-methoxy-phenyl)tetrahydropyran-2-one CAS Name: 5-[3-(butylthio)-4-methoxyphenyl]-2-oxanone IUPAC Name: 5-(3-butylsulfanyl-4-methoxyphenyl)oxan-2-one Traditional Name: 5-[3-(butylthio)-4-methoxy-phenyl]tetrahydropyran-2-one Formula: C16H22O3S MolecularWeight: 294.40908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=CC(=C1)C2CCC(=O)OC2)OC

Isomeric SMILES

CCCCSC1=C(C=CC(=C1)C2CCC(=O)OC2)OC

InChI

InChI=1S/C16H22O3S/c1-3-4-9-20-15-10-12(5-7-14(15)18-2)13-6-8-16(17)19-11-13/h5,7,10,13H,3-4,6,8-9,11H2,1-2H3