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

Systemtic Name: 6-(2,6-dimethylphenyl)-2-oxidanyl-3-(phenylmethylsulfanyl)pyran-4-one Openeye Name: 3-benzylsulfanyl-6-(2,6-dimethylphenyl)-2-hydroxy-pyran-4-one CAS Name: 6-(2,6-dimethylphenyl)-2-hydroxy-3-(phenylmethylthio)-4-pyranone IUPAC Name: 3-benzylsulfanyl-6-(2,6-dimethylphenyl)-2-hydroxypyran-4-one Traditional Name: 3-(benzylthio)-6-(2,6-dimethylphenyl)-2-hydroxy-pyran-4-one Formula: C20H18O3S MolecularWeight: 338.42012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18O3S/c1-13-7-6-8-14(2)18(13)17-11-16(21)19(20(22)23-17)24-12-15-9-4-3-5-10-15/h3-11,22H,12H2,1-2H3