bis[4-bis(2,4,6-trimethylphenyl)boranylphenyl]methanone

Systemtic Name: bis[4-bis(2,4,6-trimethylphenyl)boranylphenyl]methanone Openeye Name: bis[4-bis(2,4,6-trimethylphenyl)boranylphenyl]methanone CAS Name: bis[4-bis(2,4,6-trimethylphenyl)boranylphenyl]methanone IUPAC Name: bis[4-bis(2,4,6-trimethylphenyl)boranylphenyl]methanone Traditional Name: bis(4-dimesitylboranylphenyl)methanone Formula: C49H52B2O MolecularWeight: 678.55858

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)B(C3=C(C=C(C=C3C)C)C)C4=C(C=C(C=C4C)C)C)(C5=C(C=C(C=C5C)C)C)C6=C(C=C(C=C6C)C)C

Isomeric SMILES

B(C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)B(C3=C(C=C(C=C3C)C)C)C4=C(C=C(C=C4C)C)C)(C5=C(C=C(C=C5C)C)C)C6=C(C=C(C=C6C)C)C

InChI

InChI=1S/C49H52B2O/c1-29-21-33(5)45(34(6)22-29)50(46-35(7)23-30(2)24-36(46)8)43-17-13-41(14-18-43)49(52)42-15-19-44(20-16-42)51(47-37(9)25-31(3)26-38(47)10)48-39(11)27-32(4)28-40(48)12/h13-28H,1-12H3