ethyl (E)-3-[4,6-bis(bromanyl)-7-(4-ethoxy-4-oxidanylidene-butoxy)-1-benzofuran-2-yl]but-2-enoate

Systemtic Name: ethyl (E)-3-[4,6-bis(bromanyl)-7-(4-ethoxy-4-oxidanylidene-butoxy)-1-benzofuran-2-yl]but-2-enoate Openeye Name: ethyl (E)-3-[4,6-dibromo-7-(4-ethoxy-4-oxo-butoxy)benzofuran-2-yl]but-2-enoate CAS Name: (E)-3-[4,6-dibromo-7-(4-ethoxy-4-oxobutoxy)-2-benzofuranyl]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4,6-dibromo-7-(4-ethoxy-4-oxobutoxy)-1-benzofuran-2-yl]but-2-enoate Traditional Name: (E)-3-[4,6-dibromo-7-(4-ethoxy-4-keto-butoxy)benzofuran-2-yl]but-2-enoic acid ethyl ester Formula: C20H22Br2O6 MolecularWeight: 518.19308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=C(C=C(C2=C1OC(=C2)C(=CC(=O)OCC)C)Br)Br

Isomeric SMILES

CCOC(=O)CCCOC1=C(C=C(C2=C1OC(=C2)/C(=C/C(=O)OCC)/C)Br)Br

InChI

InChI=1S/C20H22Br2O6/c1-4-25-17(23)7-6-8-27-20-15(22)11-14(21)13-10-16(28-19(13)20)12(3)9-18(24)26-5-2/h9-11H,4-8H2,1-3H3/b12-9+