5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-(phenylmethyl)furan-2-one

Systemtic Name: 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-(phenylmethyl)furan-2-one Openeye Name: 3-benzyl-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one CAS Name: 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-(phenylmethyl)-2-furanone IUPAC Name: 3-benzyl-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one Traditional Name: 3-benzyl-4-(4-mesylphenyl)-5,5-dimethyl-furan-2-one Formula: C20H20O4S MolecularWeight: 356.4354

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C(=O)O1)CC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C)C

Isomeric SMILES

CC1(C(=C(C(=O)O1)CC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C)C

InChI

InChI=1S/C20H20O4S/c1-20(2)18(15-9-11-16(12-10-15)25(3,22)23)17(19(21)24-20)13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3