tert-butyl 4-(4-bromanyl-5-oxidanylidene-pent-1-en-3-yl)benzoate

Systemtic Name: tert-butyl 4-(4-bromanyl-5-oxidanylidene-pent-1-en-3-yl)benzoate Openeye Name: tert-butyl 4-[1-(1-bromo-2-oxo-ethyl)allyl]benzoate CAS Name: 4-(4-bromo-5-oxopent-1-en-3-yl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-bromo-5-oxopent-1-en-3-yl)benzoate Traditional Name: 4-[1-(1-bromo-2-keto-ethyl)allyl]benzoic acid tert-butyl ester Formula: C16H19BrO3 MolecularWeight: 339.22426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrO3/c1-5-13(14(17)10-18)11-6-8-12(9-7-11)15(19)20-16(2,3)4/h5-10,13-14H,1H2,2-4H3