3-[(2,6-dimethylphenyl)methylsulfanyl]-2-oxidanyl-6-phenyl-pyran-4-one

Systemtic Name: 3-[(2,6-dimethylphenyl)methylsulfanyl]-2-oxidanyl-6-phenyl-pyran-4-one Openeye Name: 3-[(2,6-dimethylphenyl)methylsulfanyl]-2-hydroxy-6-phenyl-pyran-4-one CAS Name: 3-[(2,6-dimethylphenyl)methylthio]-2-hydroxy-6-phenyl-4-pyranone IUPAC Name: 3-[(2,6-dimethylphenyl)methylsulfanyl]-2-hydroxy-6-phenylpyran-4-one Traditional Name: 3-[(2,6-dimethylbenzyl)thio]-2-hydroxy-6-phenyl-pyran-4-one Formula: C20H18O3S MolecularWeight: 338.42012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)CSC2=C(OC(=CC2=O)C3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)CSC2=C(OC(=CC2=O)C3=CC=CC=C3)O

InChI

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