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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C16H17BrO4 MolecularWeight: 353.20778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C16H17BrO4/c1-9-11-7-10(17)5-6-12(11)21-14(9)15(19)20-8-13(18)16(2,3)4/h5-7H,8H2,1-4H3