3-(1-adamantylsulfanyl)-6-methyl-2-oxidanyl-pyran-4-one

Systemtic Name: 3-(1-adamantylsulfanyl)-6-methyl-2-oxidanyl-pyran-4-one Openeye Name: 3-(1-adamantylsulfanyl)-2-hydroxy-6-methyl-pyran-4-one CAS Name: 3-(1-adamantylthio)-2-hydroxy-6-methyl-4-pyranone IUPAC Name: 3-(1-adamantylsulfanyl)-2-hydroxy-6-methylpyran-4-one Traditional Name: 3-(1-adamantylthio)-2-hydroxy-6-methyl-pyran-4-one Formula: C16H20O3S MolecularWeight: 292.3932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)O)SC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC(=O)C(=C(O1)O)SC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C16H20O3S/c1-9-2-13(17)14(15(18)19-9)20-16-6-10-3-11(7-16)5-12(4-10)8-16/h2,10-12,18H,3-8H2,1H3