2-bromanyl-1-[4-[4-[2-(4-butylphenyl)ethynyl]phenyl]phenyl]-2-methyl-propan-1-one

Systemtic Name: 2-bromanyl-1-[4-[4-[2-(4-butylphenyl)ethynyl]phenyl]phenyl]-2-methyl-propan-1-one Openeye Name: 2-bromo-1-[4-[4-[2-(4-butylphenyl)ethynyl]phenyl]phenyl]-2-methyl-propan-1-one CAS Name: 2-bromo-1-[4-[4-[2-(4-butylphenyl)ethynyl]phenyl]phenyl]-2-methyl-1-propanone IUPAC Name: 2-bromo-1-[4-[4-[2-(4-butylphenyl)ethynyl]phenyl]phenyl]-2-methylpropan-1-one Traditional Name: 2-bromo-1-[4-[4-[2-(4-butylphenyl)ethynyl]phenyl]phenyl]-2-methyl-propan-1-one Formula: C28H27BrO MolecularWeight: 459.41738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)C(C)(C)Br

Isomeric SMILES

CCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)C(C)(C)Br

InChI

InChI=1S/C28H27BrO/c1-4-5-6-21-7-9-22(10-8-21)11-12-23-13-15-24(16-14-23)25-17-19-26(20-18-25)27(30)28(2,3)29/h7-10,13-20H,4-6H2,1-3H3