[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 3-bromanyl-3-phenyl-propanoate

Systemtic Name: [2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 3-bromanyl-3-phenyl-propanoate Openeye Name: [2-(4-tert-butylphenyl)-2-oxo-ethyl] 3-bromo-3-phenyl-propanoate CAS Name: 3-bromo-3-phenylpropanoic acid [2-(4-tert-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylphenyl)-2-oxoethyl] 3-bromo-3-phenylpropanoate Traditional Name: 3-bromo-3-phenyl-propionic acid [2-(4-tert-butylphenyl)-2-keto-ethyl] ester Formula: C21H23BrO3 MolecularWeight: 403.30952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)COC(=O)CC(C2=CC=CC=C2)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)COC(=O)CC(C2=CC=CC=C2)Br

InChI

InChI=1S/C21H23BrO3/c1-21(2,3)17-11-9-16(10-12-17)19(23)14-25-20(24)13-18(22)15-7-5-4-6-8-15/h4-12,18H,13-14H2,1-3H3