[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3,5-ditert-butylbenzoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3,5-ditert-butylbenzoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 3,5-ditert-butylbenzoate CAS Name: 3,5-ditert-butylbenzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 3,5-ditert-butylbenzoate Traditional Name: 3,5-ditert-butylbenzoic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C23H27BrO3 MolecularWeight: 431.36268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27BrO3/c1-22(2,3)17-11-16(12-18(13-17)23(4,5)6)21(26)27-14-20(25)15-7-9-19(24)10-8-15/h7-13H,14H2,1-6H3