tris(2,3,3-triphenylbutan-2-yl) borate

Systemtic Name: tris(2,3,3-triphenylbutan-2-yl) borate Openeye Name: tris(1-methyl-1,2,2-triphenyl-propyl) borate CAS Name: tris(2,3,3-triphenylbutan-2-yl) borate IUPAC Name: tris(2,3,3-triphenylbutan-2-yl) borate Traditional Name: tris(1-methyl-1,2,2-triphenyl-propyl) borate Formula: C66H63BO3 MolecularWeight: 915.01562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(OC(C)(C1=CC=CC=C1)C(C)(C2=CC=CC=C2)C3=CC=CC=C3)(OC(C)(C4=CC=CC=C4)C(C)(C5=CC=CC=C5)C6=CC=CC=C6)OC(C)(C7=CC=CC=C7)C(C)(C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

B(OC(C)(C1=CC=CC=C1)C(C)(C2=CC=CC=C2)C3=CC=CC=C3)(OC(C)(C4=CC=CC=C4)C(C)(C5=CC=CC=C5)C6=CC=CC=C6)OC(C)(C7=CC=CC=C7)C(C)(C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C66H63BO3/c1-61(52-34-16-7-17-35-52,53-36-18-8-19-37-53)64(4,58-46-28-13-29-47-58)68-67(69-65(5,59-48-30-14-31-49-59)62(2,54-38-20-9-21-39-54)55-40-22-10-23-41-55)70-66(6,60-50-32-15-33-51-60)63(3,56-42-24-11-25-43-56)57-44-26-12-27-45-57/h7-51H,1-6H3