methyl 6-bromanyl-5-(3,3-dimethyl-2-oxidanylidene-butoxy)-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: methyl 6-bromanyl-5-(3,3-dimethyl-2-oxidanylidene-butoxy)-2-methyl-1-benzofuran-3-carboxylate Openeye Name: methyl 6-bromo-5-(3,3-dimethyl-2-oxo-butoxy)-2-methyl-benzofuran-3-carboxylate CAS Name: 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 6-bromo-5-(2-keto-3,3-dimethyl-butoxy)-2-methyl-benzofuran-3-carboxylic acid methyl ester Formula: C17H19BrO5 MolecularWeight: 383.23376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2O1)Br)OCC(=O)C(C)(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C2=CC(=C(C=C2O1)Br)OCC(=O)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C17H19BrO5/c1-9-15(16(20)21-5)10-6-13(11(18)7-12(10)23-9)22-8-14(19)17(2,3)4/h6-7H,8H2,1-5H3