bis(5H-cyclopenta[c]phenanthren-5-id-3-yl)-phenyl-borane; zirconium(4+); dichloride

Systemtic Name: bis(5H-cyclopenta[c]phenanthren-5-id-3-yl)-phenyl-borane; zirconium(4+); dichloride Openeye Name: bis(5H-cyclopenta[c]phenanthren-5-id-3-yl)-phenyl-borane; zirconium(4+); dichloride CAS Name: bis(5H-cyclopenta[c]phenanthren-5-id-3-yl)-phenylborane; zirconium(4+); dichloride IUPAC Name: bis(5H-cyclopenta[c]phenanthren-5-id-3-yl)-phenylborane; zirconium(4+); dichloride Traditional Name: bis(5H-cyclopenta[c]phenanthren-5-id-3-yl)-phenyl-borane; zirconium(4+); dichloride Formula: C40H25BCl2Zr MolecularWeight: 678.5675

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=CC=C1)(C2=CC=C3C2=C[CH-]C4=C3C5=CC=CC=C5C=C4)C6=CC=C7C6=C[CH-]C8=C7C9=CC=CC=C9C=C8.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

B(C1=CC=CC=C1)(C2=CC=C3C2=C[CH-]C4=C3C5=CC=CC=C5C=C4)C6=CC=C7C6=C[CH-]C8=C7C9=CC=CC=C9C=C8.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C40H25B.2ClH.Zr/c1-2-10-30(11-3-1)41(37-24-22-35-33(37)20-18-28-16-14-26-8-4-6-12-31(26)39(28)35)38-25-23-36-34(38)21-19-29-17-15-27-9-5-7-13-32(27)40(29)36;;;/h1-25H;2*1H;/q-2;;;+4/p-2