3,4-bis(oxidanyl)-1-(1-phenylsulfanylcyclohexyl)butan-1-one

Systemtic Name: 3,4-bis(oxidanyl)-1-(1-phenylsulfanylcyclohexyl)butan-1-one Openeye Name: 3,4-dihydroxy-1-(1-phenylsulfanylcyclohexyl)butan-1-one CAS Name: 3,4-dihydroxy-1-[1-(phenylthio)cyclohexyl]-1-butanone IUPAC Name: 3,4-dihydroxy-1-(1-phenylsulfanylcyclohexyl)butan-1-one Traditional Name: 3,4-dihydroxy-1-[1-(phenylthio)cyclohexyl]butan-1-one Formula: C16H22O3S MolecularWeight: 294.40908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)CC(CO)O)SC2=CC=CC=C2

Isomeric SMILES

C1CCC(CC1)(C(=O)CC(CO)O)SC2=CC=CC=C2

InChI

InChI=1S/C16H22O3S/c17-12-13(18)11-15(19)16(9-5-2-6-10-16)20-14-7-3-1-4-8-14/h1,3-4,7-8,13,17-18H,2,5-6,9-12H2