dimethyl 2-[(5-oxidanylidene-2H-furan-3-yl)methyl]-2-[2-(phenylsulfonyl)buta-2,3-dienyl]propanedioate

Systemtic Name: dimethyl 2-[(5-oxidanylidene-2H-furan-3-yl)methyl]-2-[2-(phenylsulfonyl)buta-2,3-dienyl]propanedioate Openeye Name: dimethyl 2-[2-(benzenesulfonyl)buta-2,3-dienyl]-2-[(5-oxo-2H-furan-3-yl)methyl]propanedioate CAS Name: 2-[2-(benzenesulfonyl)buta-2,3-dienyl]-2-[(5-oxo-2H-furan-3-yl)methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(benzenesulfonyl)buta-2,3-dienyl]-2-[(5-oxo-2H-furan-3-yl)methyl]propanedioate Traditional Name: 2-(2-besylbuta-2,3-dienyl)-2-[(5-keto-2H-furan-3-yl)methyl]malonic acid dimethyl ester Formula: C20H20O8S MolecularWeight: 420.433

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=O)OC1)(CC(=C=C)S(=O)(=O)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C(CC1=CC(=O)OC1)(CC(=C=C)S(=O)(=O)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H20O8S/c1-4-15(29(24,25)16-8-6-5-7-9-16)12-20(18(22)26-2,19(23)27-3)11-14-10-17(21)28-13-14/h5-10H,1,11-13H2,2-3H3