2-methylpropyl 3-bromanyl-4-(2-oxidanylidenepropoxy)benzoate

Systemtic Name: 2-methylpropyl 3-bromanyl-4-(2-oxidanylidenepropoxy)benzoate Openeye Name: isobutyl 4-acetonyloxy-3-bromo-benzoate CAS Name: 3-bromo-4-(2-oxopropoxy)benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-bromo-4-(2-oxopropoxy)benzoate Traditional Name: 4-acetonyloxy-3-bromo-benzoic acid isobutyl ester Formula: C14H17BrO4 MolecularWeight: 329.18638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrO4/c1-9(2)7-19-14(17)11-4-5-13(12(15)6-11)18-8-10(3)16/h4-6,9H,7-8H2,1-3H3