6-methyl-3-(3-methyl-3-oxidanyl-but-1-ynyl)-4-(4-methylsulfanylphenyl)pyran-2-one

Systemtic Name: 6-methyl-3-(3-methyl-3-oxidanyl-but-1-ynyl)-4-(4-methylsulfanylphenyl)pyran-2-one Openeye Name: 3-(3-hydroxy-3-methyl-but-1-ynyl)-6-methyl-4-(4-methylsulfanylphenyl)pyran-2-one CAS Name: 3-(3-hydroxy-3-methylbut-1-ynyl)-6-methyl-4-[4-(methylthio)phenyl]-2-pyranone IUPAC Name: 3-(3-hydroxy-3-methylbut-1-ynyl)-6-methyl-4-(4-methylsulfanylphenyl)pyran-2-one Traditional Name: 3-(3-hydroxy-3-methyl-but-1-ynyl)-6-methyl-4-[4-(methylthio)phenyl]pyran-2-one Formula: C18H18O3S MolecularWeight: 314.39872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)O1)C#CC(C)(C)O)C2=CC=C(C=C2)SC

Isomeric SMILES

CC1=CC(=C(C(=O)O1)C#CC(C)(C)O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C18H18O3S/c1-12-11-16(13-5-7-14(22-4)8-6-13)15(17(19)21-12)9-10-18(2,3)20/h5-8,11,20H,1-4H3