3-(4-methylsulfonylphenyl)-4-phenyl-6-propan-2-yloxy-pyran-2-one

Systemtic Name: 3-(4-methylsulfonylphenyl)-4-phenyl-6-propan-2-yloxy-pyran-2-one Openeye Name: 6-isopropoxy-3-(4-methylsulfonylphenyl)-4-phenyl-pyran-2-one CAS Name: 3-(4-methylsulfonylphenyl)-4-phenyl-6-propan-2-yloxy-2-pyranone IUPAC Name: 3-(4-methylsulfonylphenyl)-4-phenyl-6-propan-2-yloxypyran-2-one Traditional Name: 6-isopropoxy-3-(4-mesylphenyl)-4-phenyl-pyran-2-one Formula: C21H20O5S MolecularWeight: 384.4455

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=C(C(=O)O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC(C)OC1=CC(=C(C(=O)O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C21H20O5S/c1-14(2)25-19-13-18(15-7-5-4-6-8-15)20(21(22)26-19)16-9-11-17(12-10-16)27(3,23)24/h4-14H,1-3H3