dimethyl 2-[(1E)-3-(phenylsulfonyl)buta-1,3-dienyl]-2-prop-2-enyl-propanedioate

Systemtic Name: dimethyl 2-[(1E)-3-(phenylsulfonyl)buta-1,3-dienyl]-2-prop-2-enyl-propanedioate Openeye Name: dimethyl 2-allyl-2-[(1E)-3-(benzenesulfonyl)buta-1,3-dienyl]propanedioate CAS Name: 2-[(1E)-3-(benzenesulfonyl)buta-1,3-dienyl]-2-prop-2-enylpropanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1E)-3-(benzenesulfonyl)buta-1,3-dienyl]-2-prop-2-enylpropanedioate Traditional Name: 2-allyl-2-[(1E)-3-besylbuta-1,3-dienyl]malonic acid dimethyl ester Formula: C18H20O6S MolecularWeight: 364.4128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C(CC=C)(/C=C/C(=C)S(=O)(=O)C1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C18H20O6S/c1-5-12-18(16(19)23-3,17(20)24-4)13-11-14(2)25(21,22)15-9-7-6-8-10-15/h5-11,13H,1-2,12H2,3-4H3/b13-11+