dimethyl 2-(3-bromanylbut-3-enyl)-2-[3-methyl-2-(phenylsulfinyl)but-2-enyl]propanedioate

Systemtic Name: dimethyl 2-(3-bromanylbut-3-enyl)-2-[3-methyl-2-(phenylsulfinyl)but-2-enyl]propanedioate Openeye Name: dimethyl 2-[2-(benzenesulfinyl)-3-methyl-but-2-enyl]-2-(3-bromobut-3-enyl)propanedioate CAS Name: 2-[2-(benzenesulfinyl)-3-methylbut-2-enyl]-2-(3-bromobut-3-enyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(benzenesulfinyl)-3-methylbut-2-enyl]-2-(3-bromobut-3-enyl)propanedioate Traditional Name: 2-[2-(benzenesulfinyl)-3-methyl-but-2-enyl]-2-(3-bromobut-3-enyl)malonic acid dimethyl ester Formula: C20H25BrO5S MolecularWeight: 457.3785

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrO5S/c1-14(2)17(27(24)16-9-7-6-8-10-16)13-20(18(22)25-4,19(23)26-5)12-11-15(3)21/h6-10H,3,11-13H2,1-2,4-5H3