5-[5,5-dimethyl-4-(4-methylsulfonylphenyl)-2-oxidanylidene-furan-3-yl]-1-benzofuran-3-one

Systemtic Name: 5-[5,5-dimethyl-4-(4-methylsulfonylphenyl)-2-oxidanylidene-furan-3-yl]-1-benzofuran-3-one Openeye Name: 5-[5,5-dimethyl-4-(4-methylsulfonylphenyl)-2-oxo-3-furyl]benzofuran-3-one CAS Name: 5-[5,5-dimethyl-4-(4-methylsulfonylphenyl)-2-oxo-3-furanyl]-3-benzofuranone IUPAC Name: 5-[5,5-dimethyl-4-(4-methylsulfonylphenyl)-2-oxofuran-3-yl]-1-benzofuran-3-one Traditional Name: 5-[2-keto-4-(4-mesylphenyl)-5,5-dimethyl-3-furyl]coumaran-3-one Formula: C21H18O6S MolecularWeight: 398.42902

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C(=O)O1)C2=CC3=C(C=C2)OCC3=O)C4=CC=C(C=C4)S(=O)(=O)C)C

Isomeric SMILES

CC1(C(=C(C(=O)O1)C2=CC3=C(C=C2)OCC3=O)C4=CC=C(C=C4)S(=O)(=O)C)C

InChI

InChI=1S/C21H18O6S/c1-21(2)19(12-4-7-14(8-5-12)28(3,24)25)18(20(23)27-21)13-6-9-17-15(10-13)16(22)11-26-17/h4-10H,11H2,1-3H3