dimethyl 2-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]-2-[2-(4-methylsulfonylphenyl)-2-oxidanylidene-ethyl]propanedioate

Systemtic Name: dimethyl 2-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]-2-[2-(4-methylsulfonylphenyl)-2-oxidanylidene-ethyl]propanedioate Openeye Name: dimethyl 2-[2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl]-2-[2-(4-methylsulfonylphenyl)-2-oxo-ethyl]propanedioate CAS Name: 2-[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]-2-[2-(4-methylsulfonylphenyl)-2-oxoethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]-2-[2-(4-methylsulfonylphenyl)-2-oxoethyl]propanedioate Traditional Name: 2-[2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl]-2-[2-keto-2-(4-mesylphenyl)ethyl]malonic acid dimethyl ester Formula: C23H23BrO9S MolecularWeight: 555.39232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CC(CC(=O)C2=CC=C(C=C2)S(=O)(=O)C)(C(=O)OC)C(=O)OC)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CC(CC(=O)C2=CC=C(C=C2)S(=O)(=O)C)(C(=O)OC)C(=O)OC)Br

InChI

InChI=1S/C23H23BrO9S/c1-31-20-10-7-15(11-17(20)24)19(26)13-23(21(27)32-2,22(28)33-3)12-18(25)14-5-8-16(9-6-14)34(4,29)30/h5-11H,12-13H2,1-4H3