6-(3,5-dimethylphenyl)-4-(hydroxymethyl)-3-(phenylmethylsulfanyl)pyran-2-one

Systemtic Name: 6-(3,5-dimethylphenyl)-4-(hydroxymethyl)-3-(phenylmethylsulfanyl)pyran-2-one Openeye Name: 3-benzylsulfanyl-6-(3,5-dimethylphenyl)-4-(hydroxymethyl)pyran-2-one CAS Name: 6-(3,5-dimethylphenyl)-4-(hydroxymethyl)-3-(phenylmethylthio)-2-pyranone IUPAC Name: 3-benzylsulfanyl-6-(3,5-dimethylphenyl)-4-(hydroxymethyl)pyran-2-one Traditional Name: 3-(benzylthio)-6-(3,5-dimethylphenyl)-4-methylol-pyran-2-one Formula: C21H20O3S MolecularWeight: 352.4467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=CC(=C(C(=O)O2)SCC3=CC=CC=C3)CO)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=CC(=C(C(=O)O2)SCC3=CC=CC=C3)CO)C

InChI

InChI=1S/C21H20O3S/c1-14-8-15(2)10-17(9-14)19-11-18(12-22)20(21(23)24-19)25-13-16-6-4-3-5-7-16/h3-11,22H,12-13H2,1-2H3