1-[3-(butan-2-ylsulfanylmethyl)-4-oxidanyl-phenyl]ethanone

Systemtic Name: 1-[3-(butan-2-ylsulfanylmethyl)-4-oxidanyl-phenyl]ethanone Openeye Name: 1-[4-hydroxy-3-(sec-butylsulfanylmethyl)phenyl]ethanone CAS Name: 1-[3-[(butan-2-ylthio)methyl]-4-hydroxyphenyl]ethanone IUPAC Name: 1-[3-(butan-2-ylsulfanylmethyl)-4-hydroxyphenyl]ethanone Traditional Name: 1-[4-hydroxy-3-[(sec-butylthio)methyl]phenyl]ethanone Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SCC1=C(C=CC(=C1)C(=O)C)O

Isomeric SMILES

CCC(C)SCC1=C(C=CC(=C1)C(=O)C)O

InChI

InChI=1S/C13H18O2S/c1-4-9(2)16-8-12-7-11(10(3)14)5-6-13(12)15/h5-7,9,15H,4,8H2,1-3H3