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

Systemtic Name: 2,2-dimethyl-5-(4-methylsulfonylphenyl)-4-phenyl-furan-3-one Openeye Name: 2,2-dimethyl-5-(4-methylsulfonylphenyl)-4-phenyl-furan-3-one CAS Name: 2,2-dimethyl-5-(4-methylsulfonylphenyl)-4-phenyl-3-furanone IUPAC Name: 2,2-dimethyl-5-(4-methylsulfonylphenyl)-4-phenylfuran-3-one Traditional Name: 5-(4-mesylphenyl)-2,2-dimethyl-4-phenyl-furan-3-one Formula: C19H18O4S MolecularWeight: 342.40882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18O4S/c1-19(2)18(20)16(13-7-5-4-6-8-13)17(23-19)14-9-11-15(12-10-14)24(3,21)22/h4-12H,1-3H3