ethyl 4-bromanyl-5-(3,5-dimethylphenyl)carbonyloxy-2-methanoyl-7-methyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 4-bromanyl-5-(3,5-dimethylphenyl)carbonyloxy-2-methanoyl-7-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 4-bromo-5-(3,5-dimethylbenzoyl)oxy-2-formyl-7-methyl-benzofuran-3-carboxylate CAS Name: 4-bromo-5-[(3,5-dimethylphenyl)-oxomethoxy]-2-formyl-7-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-5-(3,5-dimethylbenzoyl)oxy-2-formyl-7-methyl-1-benzofuran-3-carboxylate Traditional Name: 4-bromo-5-(3,5-dimethylbenzoyl)oxy-2-formyl-7-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C22H19BrO6 MolecularWeight: 459.28666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2C)OC(=O)C3=CC(=CC(=C3)C)C)Br)C=O

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2C)OC(=O)C3=CC(=CC(=C3)C)C)Br)C=O

InChI

InChI=1S/C22H19BrO6/c1-5-27-22(26)17-16(10-24)28-20-13(4)9-15(19(23)18(17)20)29-21(25)14-7-11(2)6-12(3)8-14/h6-10H,5H2,1-4H3