1-(4-butylsulfanyl-3-methyl-phenyl)ethanone

Systemtic Name: 1-(4-butylsulfanyl-3-methyl-phenyl)ethanone Openeye Name: 1-(4-butylsulfanyl-3-methyl-phenyl)ethanone CAS Name: 1-[4-(butylthio)-3-methylphenyl]ethanone IUPAC Name: 1-(4-butylsulfanyl-3-methylphenyl)ethanone Traditional Name: 1-[4-(butylthio)-3-methyl-phenyl]ethanone Formula: C13H18OS MolecularWeight: 222.34642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=C(C=C1)C(=O)C)C

Isomeric SMILES

CCCCSC1=C(C=C(C=C1)C(=O)C)C

InChI

InChI=1S/C13H18OS/c1-4-5-8-15-13-7-6-12(11(3)14)9-10(13)2/h6-7,9H,4-5,8H2,1-3H3