4-(1,3-benzodioxol-5-yl)-2-ethyl-2-methyl-5-(4-methylsulfonylphenyl)furan-3-one

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-ethyl-2-methyl-5-(4-methylsulfonylphenyl)furan-3-one Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-ethyl-2-methyl-5-(4-methylsulfonylphenyl)furan-3-one CAS Name: 4-(1,3-benzodioxol-5-yl)-2-ethyl-2-methyl-5-(4-methylsulfonylphenyl)-3-furanone IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-ethyl-2-methyl-5-(4-methylsulfonylphenyl)furan-3-one Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-ethyl-5-(4-mesylphenyl)-2-methyl-furan-3-one Formula: C21H20O6S MolecularWeight: 400.4449

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)C(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCC1(C(=O)C(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C21H20O6S/c1-4-21(2)20(22)18(14-7-10-16-17(11-14)26-12-25-16)19(27-21)13-5-8-15(9-6-13)28(3,23)24/h5-11H,4,12H2,1-3H3