tert-butyl 2-[4-(2-bromanyl-3-oxidanylidene-propyl)phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-(2-bromanyl-3-oxidanylidene-propyl)phenyl]benzoate Openeye Name: tert-butyl 2-[4-(2-bromo-3-oxo-propyl)phenyl]benzoate CAS Name: 2-[4-(2-bromo-3-oxopropyl)phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(2-bromo-3-oxopropyl)phenyl]benzoate Traditional Name: 2-[4-(2-bromo-3-keto-propyl)phenyl]benzoic acid tert-butyl ester Formula: C20H21BrO3 MolecularWeight: 389.28294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CC(C=O)Br

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CC(C=O)Br

InChI

InChI=1S/C20H21BrO3/c1-20(2,3)24-19(23)18-7-5-4-6-17(18)15-10-8-14(9-11-15)12-16(21)13-22/h4-11,13,16H,12H2,1-3H3