propan-2-yloxy-bis[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]borane

Systemtic Name: propan-2-yloxy-bis[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]borane Openeye Name: isopropoxy-bis[2-(2-trityltetrazol-5-yl)phenyl]borane CAS Name: propan-2-yloxy-bis[2-[2-(triphenylmethyl)-5-tetrazolyl]phenyl]borane IUPAC Name: propan-2-yloxy-bis[2-(2-trityltetrazol-5-yl)phenyl]borane Traditional Name: isopropoxy-bis[2-(2-trityltetrazol-5-yl)phenyl]borane Formula: C55H45BN8O MolecularWeight: 844.8098

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=CC=C1C2=NN(N=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(C6=CC=CC=C6C7=NN(N=N7)C(C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1)OC(C)C

Isomeric SMILES

B(C1=CC=CC=C1C2=NN(N=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(C6=CC=CC=C6C7=NN(N=N7)C(C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1)OC(C)C

InChI

InChI=1S/C55H45BN8O/c1-41(2)65-56(50-39-23-21-37-48(50)52-57-61-63(59-52)54(42-25-9-3-10-26-42,43-27-11-4-12-28-43)44-29-13-5-14-30-44)51-40-24-22-38-49(51)53-58-62-64(60-53)55(45-31-15-6-16-32-45,46-33-17-7-18-34-46)47-35-19-8-20-36-47/h3-41H,1-2H3