2-methyl-5,6-bis(oxidanyl)-2-phenylsulfanyl-hexan-3-one

Systemtic Name: 2-methyl-5,6-bis(oxidanyl)-2-phenylsulfanyl-hexan-3-one Openeye Name: 5,6-dihydroxy-2-methyl-2-phenylsulfanyl-hexan-3-one CAS Name: 5,6-dihydroxy-2-methyl-2-(phenylthio)-3-hexanone IUPAC Name: 5,6-dihydroxy-2-methyl-2-phenylsulfanylhexan-3-one Traditional Name: 5,6-dihydroxy-2-methyl-2-(phenylthio)hexan-3-one Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)CC(CO)O)SC1=CC=CC=C1

Isomeric SMILES

CC(C)(C(=O)CC(CO)O)SC1=CC=CC=C1

InChI

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