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

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-tert-butylsulfanyl-ethanone Openeye Name: 2-tert-butylsulfanyl-1-(3,4-dihydroxyphenyl)ethanone CAS Name: 2-(tert-butylthio)-1-(3,4-dihydroxyphenyl)ethanone IUPAC Name: 2-tert-butylsulfanyl-1-(3,4-dihydroxyphenyl)ethanone Traditional Name: 2-(tert-butylthio)-1-(3,4-dihydroxyphenyl)ethanone Formula: C12H16O3S MolecularWeight: 240.31864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC(=O)C1=CC(=C(C=C1)O)O

Isomeric SMILES

CC(C)(C)SCC(=O)C1=CC(=C(C=C1)O)O

InChI

InChI=1S/C12H16O3S/c1-12(2,3)16-7-11(15)8-4-5-9(13)10(14)6-8/h4-6,13-14H,7H2,1-3H3