dimethyl 2-but-3-ynyl-2-[2-(phenylsulfonyl)buta-2,3-dienyl]propanedioate

Systemtic Name: dimethyl 2-but-3-ynyl-2-[2-(phenylsulfonyl)buta-2,3-dienyl]propanedioate Openeye Name: dimethyl 2-[2-(benzenesulfonyl)buta-2,3-dienyl]-2-but-3-ynyl-propanedioate CAS Name: 2-[2-(benzenesulfonyl)buta-2,3-dienyl]-2-but-3-ynylpropanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(benzenesulfonyl)buta-2,3-dienyl]-2-but-3-ynylpropanedioate Traditional Name: 2-(2-besylbuta-2,3-dienyl)-2-but-3-ynyl-malonic acid dimethyl ester Formula: C19H20O6S MolecularWeight: 376.4235

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC#C)(CC(=C=C)S(=O)(=O)C1=CC=CC=C1)C(=O)OC

Isomeric SMILES

COC(=O)C(CCC#C)(CC(=C=C)S(=O)(=O)C1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C19H20O6S/c1-5-7-13-19(17(20)24-3,18(21)25-4)14-15(6-2)26(22,23)16-11-9-8-10-12-16/h1,8-12H,2,7,13-14H2,3-4H3