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

Systemtic Name: 1-[4-(3-methylbutylsulfanyl)phenyl]-2,2-bis(oxidanyl)ethanone Openeye Name: 2,2-dihydroxy-1-(4-isopentylsulfanylphenyl)ethanone CAS Name: 2,2-dihydroxy-1-[4-(3-methylbutylthio)phenyl]ethanone IUPAC Name: 2,2-dihydroxy-1-[4-(3-methylbutylsulfanyl)phenyl]ethanone Traditional Name: 2,2-dihydroxy-1-[4-(isoamylthio)phenyl]ethanone Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=CC=C(C=C1)C(=O)C(O)O

Isomeric SMILES

CC(C)CCSC1=CC=C(C=C1)C(=O)C(O)O

InChI

InChI=1S/C13H18O3S/c1-9(2)7-8-17-11-5-3-10(4-6-11)12(14)13(15)16/h3-6,9,13,15-16H,7-8H2,1-2H3