4-(4-bromanylphenyl)-6-ethoxy-3-(4-methylsulfonylphenyl)pyran-2-one

Systemtic Name: 4-(4-bromanylphenyl)-6-ethoxy-3-(4-methylsulfonylphenyl)pyran-2-one Openeye Name: 4-(4-bromanylphenyl)-6-ethoxy-3-(4-methylsulfonylphenyl)pyran-2-one CAS Name: 4-(4-bromanylphenyl)-6-ethoxy-3-(4-methylsulfonylphenyl)-2-pyranone IUPAC Name: 4-(4-bromanylphenyl)-6-ethoxy-3-(4-methylsulfonylphenyl)pyran-2-one Traditional Name: 4-(4-bromanylphenyl)-6-ethoxy-3-(4-mesylphenyl)pyran-2-one Formula: C20H17BrO5S MolecularWeight: 446.33236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C(=O)O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=CC(=C(C(=O)O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)[77Br]

InChI

InChI=1S/C20H17BrO5S/c1-3-25-18-12-17(13-4-8-15(21)9-5-13)19(20(22)26-18)14-6-10-16(11-7-14)27(2,23)24/h4-12H,3H2,1-2H3/i21-3