ethyl 4-(4-bromanyl-2,5-dimethyl-phenyl)-3,3-dimethyl-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-(4-bromanyl-2,5-dimethyl-phenyl)-3,3-dimethyl-4-oxidanylidene-butanoate Openeye Name: ethyl 4-(4-bromo-2,5-dimethyl-phenyl)-3,3-dimethyl-4-oxo-butanoate CAS Name: 4-(4-bromo-2,5-dimethylphenyl)-3,3-dimethyl-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(4-bromo-2,5-dimethylphenyl)-3,3-dimethyl-4-oxobutanoate Traditional Name: 4-(4-bromo-2,5-dimethyl-phenyl)-4-keto-3,3-dimethyl-butyric acid ethyl ester Formula: C16H21BrO3 MolecularWeight: 341.24014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)(C)C(=O)C1=CC(=C(C=C1C)Br)C

Isomeric SMILES

CCOC(=O)CC(C)(C)C(=O)C1=CC(=C(C=C1C)Br)C

InChI

InChI=1S/C16H21BrO3/c1-6-20-14(18)9-16(4,5)15(19)12-7-11(3)13(17)8-10(12)2/h7-8H,6,9H2,1-5H3