(3,3-dimethyl-2-oxidanylidene-butyl) 3-bromanyl-5-methoxy-4-oxidanyl-benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-bromanyl-5-methoxy-4-oxidanyl-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-bromo-4-hydroxy-5-methoxy-benzoate CAS Name: 3-bromo-4-hydroxy-5-methoxybenzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-bromo-4-hydroxy-5-methoxybenzoate Traditional Name: 3-bromo-4-hydroxy-5-methoxy-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C14H17BrO5 MolecularWeight: 345.18578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=C(C(=C1)Br)O)OC

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=C(C(=C1)Br)O)OC

InChI

InChI=1S/C14H17BrO5/c1-14(2,3)11(16)7-20-13(18)8-5-9(15)12(17)10(6-8)19-4/h5-6,17H,7H2,1-4H3