ethyl (2R)-2-[6-bromanyl-3-(4-methylphenyl)carbonyl-4,5-bis(oxidanyl)-1-benzofuran-7-yl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl (2R)-2-[6-bromanyl-3-(4-methylphenyl)carbonyl-4,5-bis(oxidanyl)-1-benzofuran-7-yl]-3-oxidanylidene-butanoate Openeye Name: ethyl (2R)-2-[6-bromo-4,5-dihydroxy-3-(4-methylbenzoyl)benzofuran-7-yl]-3-oxo-butanoate CAS Name: (2R)-2-[6-bromo-4,5-dihydroxy-3-[(4-methylphenyl)-oxomethyl]-7-benzofuranyl]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[6-bromo-4,5-dihydroxy-3-(4-methylbenzoyl)-1-benzofuran-7-yl]-3-oxobutanoate Traditional Name: (2R)-2-(6-bromo-4,5-dihydroxy-3-p-toluoyl-benzofuran-7-yl)-3-keto-butyric acid ethyl ester Formula: C22H19BrO7 MolecularWeight: 475.28606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(C(=C(C2=C1OC=C2C(=O)C3=CC=C(C=C3)C)O)O)Br)C(=O)C

Isomeric SMILES

CCOC(=O)[C@H](C1=C(C(=C(C2=C1OC=C2C(=O)C3=CC=C(C=C3)C)O)O)Br)C(=O)C

InChI

InChI=1S/C22H19BrO7/c1-4-29-22(28)14(11(3)24)16-17(23)20(27)19(26)15-13(9-30-21(15)16)18(25)12-7-5-10(2)6-8-12/h5-9,14,26-27H,4H2,1-3H3/t14-/m0/s1