1-[3,4-bis(oxidanyl)phenyl]-2-(2-methylpropylsulfanyl)ethanone

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-(2-methylpropylsulfanyl)ethanone Openeye Name: 1-(3,4-dihydroxyphenyl)-2-isobutylsulfanyl-ethanone CAS Name: 1-(3,4-dihydroxyphenyl)-2-(2-methylpropylthio)ethanone IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-(2-methylpropylsulfanyl)ethanone Traditional Name: 1-(3,4-dihydroxyphenyl)-2-(isobutylthio)ethanone Formula: C12H16O3S MolecularWeight: 240.31864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSCC(=O)C1=CC(=C(C=C1)O)O

Isomeric SMILES

CC(C)CSCC(=O)C1=CC(=C(C=C1)O)O

InChI

InChI=1S/C12H16O3S/c1-8(2)6-16-7-12(15)9-3-4-10(13)11(14)5-9/h3-5,8,13-14H,6-7H2,1-2H3