dimethyl 2-(2-bromanylprop-2-enyl)-2-[2-(phenylsulfonyl)buta-2,3-dienyl]propanedioate

Systemtic Name: dimethyl 2-(2-bromanylprop-2-enyl)-2-[2-(phenylsulfonyl)buta-2,3-dienyl]propanedioate Openeye Name: dimethyl 2-[2-(benzenesulfonyl)buta-2,3-dienyl]-2-(2-bromoallyl)propanedioate CAS Name: 2-[2-(benzenesulfonyl)buta-2,3-dienyl]-2-(2-bromoprop-2-enyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(benzenesulfonyl)buta-2,3-dienyl]-2-(2-bromoprop-2-enyl)propanedioate Traditional Name: 2-(2-besylbuta-2,3-dienyl)-2-(2-bromoallyl)malonic acid dimethyl ester Formula: C18H19BrO6S MolecularWeight: 443.30886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrO6S/c1-5-14(26(22,23)15-9-7-6-8-10-15)12-18(11-13(2)19,16(20)24-3)17(21)25-4/h6-10H,1-2,11-12H2,3-4H3