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

Systemtic Name: 2-oxidanyl-3-(phenylmethylsulfanyl)-6-(2,4,6-trimethylphenyl)pyran-4-one Openeye Name: 3-benzylsulfanyl-2-hydroxy-6-(2,4,6-trimethylphenyl)pyran-4-one CAS Name: 2-hydroxy-3-(phenylmethylthio)-6-(2,4,6-trimethylphenyl)-4-pyranone IUPAC Name: 3-benzylsulfanyl-2-hydroxy-6-(2,4,6-trimethylphenyl)pyran-4-one Traditional Name: 3-(benzylthio)-2-hydroxy-6-mesityl-pyran-4-one Formula: C21H20O3S MolecularWeight: 352.4467

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20O3S/c1-13-9-14(2)19(15(3)10-13)18-11-17(22)20(21(23)24-18)25-12-16-7-5-4-6-8-16/h4-11,23H,12H2,1-3H3