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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one Openeye Name: 4-(1,3-benzodioxol-5-yl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one CAS Name: 4-(1,3-benzodioxol-5-yl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)-3-furanone IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one Traditional Name: 4-(1,3-benzodioxol-5-yl)-5-(4-mesylphenyl)-2,2-dimethyl-furan-3-one Formula: C20H18O6S MolecularWeight: 386.41832

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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=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1(C(=O)C(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C20H18O6S/c1-20(2)19(21)17(13-6-9-15-16(10-13)25-11-24-15)18(26-20)12-4-7-14(8-5-12)27(3,22)23/h4-10H,11H2,1-3H3