5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-[3-(phenylmethylsulfanyl)phenoxy]furan-2-one

Systemtic Name: 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-[3-(phenylmethylsulfanyl)phenoxy]furan-2-one Openeye Name: 3-(3-benzylsulfanylphenoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one CAS Name: 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-[3-(phenylmethylthio)phenoxy]-2-furanone IUPAC Name: 3-(3-benzylsulfanylphenoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one Traditional Name: 3-[3-(benzylthio)phenoxy]-4-(4-mesylphenyl)-5,5-dimethyl-furan-2-one Formula: C26H24O5S2 MolecularWeight: 480.59576

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C(=O)O1)OC2=CC(=CC=C2)SCC3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)C)C

Isomeric SMILES

CC1(C(=C(C(=O)O1)OC2=CC(=CC=C2)SCC3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)C)C

InChI

InChI=1S/C26H24O5S2/c1-26(2)23(19-12-14-22(15-13-19)33(3,28)29)24(25(27)31-26)30-20-10-7-11-21(16-20)32-17-18-8-5-4-6-9-18/h4-16H,17H2,1-3H3