3-(2,3-dihydro-1-benzofuran-5-yl)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one

Systemtic Name: 3-(2,3-dihydro-1-benzofuran-5-yl)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one Openeye Name: 3-(2,3-dihydrobenzofuran-5-yl)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one CAS Name: 3-(2,3-dihydrobenzofuran-5-yl)-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2-furanone IUPAC Name: 3-(2,3-dihydro-1-benzofuran-5-yl)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one Traditional Name: 3-coumaran-5-yl-4-(4-mesylphenyl)-5,5-dimethyl-furan-2-one Formula: C21H20O5S MolecularWeight: 384.4455

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20O5S/c1-21(2)19(13-4-7-16(8-5-13)27(3,23)24)18(20(22)26-21)15-6-9-17-14(12-15)10-11-25-17/h4-9,12H,10-11H2,1-3H3