2-[4-[5,5-dimethyl-4-(4-methylsulfonylphenyl)-2-oxidanylidene-furan-3-yl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[5,5-dimethyl-4-(4-methylsulfonylphenyl)-2-oxidanylidene-furan-3-yl]phenoxy]ethanoic acid Openeye Name: 2-[4-[5,5-dimethyl-4-(4-methylsulfonylphenyl)-2-oxo-3-furyl]phenoxy]acetic acid CAS Name: 2-[4-[5,5-dimethyl-4-(4-methylsulfonylphenyl)-2-oxo-3-furanyl]phenoxy]acetic acid IUPAC Name: 2-[4-[5,5-dimethyl-4-(4-methylsulfonylphenyl)-2-oxofuran-3-yl]phenoxy]acetic acid Traditional Name: 2-[4-[2-keto-4-(4-mesylphenyl)-5,5-dimethyl-3-furyl]phenoxy]acetic acid Formula: C21H20O7S MolecularWeight: 416.4443

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C(=O)O1)C2=CC=C(C=C2)OCC(=O)O)C3=CC=C(C=C3)S(=O)(=O)C)C

Isomeric SMILES

CC1(C(=C(C(=O)O1)C2=CC=C(C=C2)OCC(=O)O)C3=CC=C(C=C3)S(=O)(=O)C)C

InChI

InChI=1S/C21H20O7S/c1-21(2)19(14-6-10-16(11-7-14)29(3,25)26)18(20(24)28-21)13-4-8-15(9-5-13)27-12-17(22)23/h4-11H,12H2,1-3H3,(H,22,23)