6-(2-methylphenyl)-2-oxidanyl-3-(2-propan-2-ylphenyl)sulfanyl-pyran-4-one

Systemtic Name: 6-(2-methylphenyl)-2-oxidanyl-3-(2-propan-2-ylphenyl)sulfanyl-pyran-4-one Openeye Name: 2-hydroxy-3-(2-isopropylphenyl)sulfanyl-6-(o-tolyl)pyran-4-one CAS Name: 2-hydroxy-6-(2-methylphenyl)-3-[(2-propan-2-ylphenyl)thio]-4-pyranone IUPAC Name: 2-hydroxy-6-(2-methylphenyl)-3-(2-propan-2-ylphenyl)sulfanylpyran-4-one Traditional Name: 2-hydroxy-3-(o-cumenylthio)-6-(o-tolyl)pyran-4-one Formula: C21H20O3S MolecularWeight: 352.4467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC(=O)C(=C(O2)O)SC3=CC=CC=C3C(C)C

Isomeric SMILES

CC1=CC=CC=C1C2=CC(=O)C(=C(O2)O)SC3=CC=CC=C3C(C)C

InChI

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