tert-butyl 2-[(2-bromanyl-5-methoxy-3,4,6-trimethyl-phenyl)methyl]-3-oxidanylidene-butanoate

Systemtic Name: tert-butyl 2-[(2-bromanyl-5-methoxy-3,4,6-trimethyl-phenyl)methyl]-3-oxidanylidene-butanoate Openeye Name: tert-butyl 2-[(2-bromo-5-methoxy-3,4,6-trimethyl-phenyl)methyl]-3-oxo-butanoate CAS Name: 2-[(2-bromo-5-methoxy-3,4,6-trimethylphenyl)methyl]-3-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-bromo-5-methoxy-3,4,6-trimethylphenyl)methyl]-3-oxobutanoate Traditional Name: 2-(2-bromo-5-methoxy-3,4,6-trimethyl-benzyl)-3-keto-butyric acid tert-butyl ester Formula: C19H27BrO4 MolecularWeight: 399.31928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1OC)C)CC(C(=O)C)C(=O)OC(C)(C)C)Br)C

Isomeric SMILES

CC1=C(C(=C(C(=C1OC)C)CC(C(=O)C)C(=O)OC(C)(C)C)Br)C

InChI

InChI=1S/C19H27BrO4/c1-10-11(2)17(23-8)12(3)14(16(10)20)9-15(13(4)21)18(22)24-19(5,6)7/h15H,9H2,1-8H3