6-(3,5-dimethylphenyl)-2-oxidanyl-3-phenethylsulfanyl-pyran-4-one

Systemtic Name: 6-(3,5-dimethylphenyl)-2-oxidanyl-3-phenethylsulfanyl-pyran-4-one Openeye Name: 6-(3,5-dimethylphenyl)-2-hydroxy-3-phenethylsulfanyl-pyran-4-one CAS Name: 6-(3,5-dimethylphenyl)-2-hydroxy-3-(phenethylthio)-4-pyranone IUPAC Name: 6-(3,5-dimethylphenyl)-2-hydroxy-3-phenethylsulfanylpyran-4-one Traditional Name: 6-(3,5-dimethylphenyl)-2-hydroxy-3-(phenethylthio)pyran-4-one Formula: C21H20O3S MolecularWeight: 352.4467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=CC(=O)C(=C(O2)O)SCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=CC(=O)C(=C(O2)O)SCCC3=CC=CC=C3)C

InChI

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