tert-butyl 6-bromanyl-2-[3-(phenylcarbonyl)phenyl]hexanoate

Systemtic Name: tert-butyl 6-bromanyl-2-[3-(phenylcarbonyl)phenyl]hexanoate Openeye Name: tert-butyl 2-(3-benzoylphenyl)-6-bromo-hexanoate CAS Name: 2-(3-benzoylphenyl)-6-bromohexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-benzoylphenyl)-6-bromohexanoate Traditional Name: 2-(3-benzoylphenyl)-6-bromo-hexanoic acid tert-butyl ester Formula: C23H27BrO3 MolecularWeight: 431.36268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCCCBr)C1=CC=CC(=C1)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C(CCCCBr)C1=CC=CC(=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H27BrO3/c1-23(2,3)27-22(26)20(14-7-8-15-24)18-12-9-13-19(16-18)21(25)17-10-5-4-6-11-17/h4-6,9-13,16,20H,7-8,14-15H2,1-3H3