3-dodecylsulfanyl-6-methyl-2-oxidanyl-pyran-4-one

Systemtic Name: 3-dodecylsulfanyl-6-methyl-2-oxidanyl-pyran-4-one Openeye Name: 3-dodecylsulfanyl-2-hydroxy-6-methyl-pyran-4-one CAS Name: 3-(dodecylthio)-2-hydroxy-6-methyl-4-pyranone IUPAC Name: 3-dodecylsulfanyl-2-hydroxy-6-methylpyran-4-one Traditional Name: 2-hydroxy-3-(laurylthio)-6-methyl-pyran-4-one Formula: C18H30O3S MolecularWeight: 326.494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=C(OC(=CC1=O)C)O

Isomeric SMILES

CCCCCCCCCCCCSC1=C(OC(=CC1=O)C)O

InChI

InChI=1S/C18H30O3S/c1-3-4-5-6-7-8-9-10-11-12-13-22-17-16(19)14-15(2)21-18(17)20/h14,20H,3-13H2,1-2H3