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

Systemtic Name: 6-methyl-3-(3-methyl-3-oxidanyl-but-1-ynyl)-4-(4-methylsulfonylphenyl)pyran-2-one Openeye Name: 3-(3-hydroxy-3-methyl-but-1-ynyl)-6-methyl-4-(4-methylsulfonylphenyl)pyran-2-one CAS Name: 3-(3-hydroxy-3-methylbut-1-ynyl)-6-methyl-4-(4-methylsulfonylphenyl)-2-pyranone IUPAC Name: 3-(3-hydroxy-3-methylbut-1-ynyl)-6-methyl-4-(4-methylsulfonylphenyl)pyran-2-one Traditional Name: 3-(3-hydroxy-3-methyl-but-1-ynyl)-4-(4-mesylphenyl)-6-methyl-pyran-2-one Formula: C18H18O5S MolecularWeight: 346.39752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18O5S/c1-12-11-16(13-5-7-14(8-6-13)24(4,21)22)15(17(19)23-12)9-10-18(2,3)20/h5-8,11,20H,1-4H3