methyl 3-[[4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoyl]oxymethyl]benzoate

Systemtic Name: methyl 3-[[4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoyl]oxymethyl]benzoate Openeye Name: methyl 3-[[4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoyl]oxymethyl]benzoate CAS Name: 3-[[4-(5-bromo-2-methoxyphenyl)-1,4-dioxobutoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(5-bromo-2-methoxyphenyl)-4-oxobutanoyl]oxymethyl]benzoate Traditional Name: 3-[[4-(5-bromo-2-methoxy-phenyl)-4-keto-butanoyl]oxymethyl]benzoic acid methyl ester Formula: C20H19BrO6 MolecularWeight: 435.26526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C20H19BrO6/c1-25-18-8-6-15(21)11-16(18)17(22)7-9-19(23)27-12-13-4-3-5-14(10-13)20(24)26-2/h3-6,8,10-11H,7,9,12H2,1-2H3