bis(12,14-dihydrocyclopenta[a]phenanthren-12-id-11-yl)-diphenyl-silane; zirconium(4+); dichloride

Systemtic Name: bis(12,14-dihydrocyclopenta[a]phenanthren-12-id-11-yl)-diphenyl-silane; zirconium(4+); dichloride Openeye Name: bis(12,14-dihydrocyclopenta[a]phenanthren-12-id-11-yl)-diphenyl-silane; zirconium(4+); dichloride CAS Name: bis(12,14-dihydrocyclopenta[a]phenanthren-12-id-11-yl)-diphenylsilane; zirconium(4+); dichloride IUPAC Name: bis(12,14-dihydrocyclopenta[a]phenanthren-12-id-11-yl)-diphenylsilane; zirconium(4+); dichloride Traditional Name: bis(12,14-dihydrocyclopenta[a]phenanthren-12-id-11-yl)-diphenyl-silane; zirconium(4+); dichloride Formula: C46H30Cl2SiZr MolecularWeight: 772.9459

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=[C-]C4=CC=CC4C5=C3C6=CC=CC=C6C=C5)C7=[C-]C8=CC=CC8C9=C7C1=CC=CC=C1C=C9.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=[C-]C4=CC=CC4C5=C3C6=CC=CC=C6C=C5)C7=[C-]C8=CC=CC8C9=C7C1=CC=CC=C1C=C9.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C46H30Si.2ClH.Zr/c1-3-17-35(18-4-1)47(36-19-5-2-6-20-36,43-29-33-15-11-23-37(33)41-27-25-31-13-7-9-21-39(31)45(41)43)44-30-34-16-12-24-38(34)42-28-26-32-14-8-10-22-40(32)46(42)44;;;/h1-28,37-38H;2*1H;/q-2;;;+4/p-2