bis(2-ethyl-1-methanidyl-3-phenanthren-4-yl-1H-inden-4-yl)-methyl-phenyl-silane; zirconium(2+)

Systemtic Name: bis(2-ethyl-1-methanidyl-3-phenanthren-4-yl-1H-inden-4-yl)-methyl-phenyl-silane; zirconium(2+) Openeye Name: bis[2-ethyl-1-methanidyl-3-(4-phenanthryl)-1H-inden-4-yl]-methyl-phenyl-silane; zirconium(2+) CAS Name: bis[2-ethyl-1-methanidyl-3-(4-phenanthrenyl)-1H-inden-4-yl]-methyl-phenylsilane; zirconium(2+) IUPAC Name: bis(2-ethyl-1-methanidyl-3-phenanthren-4-yl-1H-inden-4-yl)-methyl-phenylsilane; zirconium(2+) Traditional Name: bis[2-ethyl-1-methanidyl-3-(4-phenanthryl)-1H-inden-4-yl]-methyl-phenyl-silane; zirconium(2+) Formula: C59H48SiZr MolecularWeight: 876.32192

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C1[CH2-])C=CC=C2[Si](C)(C3=CC=CC=C3)C4=CC=CC5=C4C(=C(C5[CH2-])CC)C6=CC=CC7=C6C8=CC=CC=C8C=C7)C9=CC=CC1=C9C2=CC=CC=C2C=C1.[Zr+2]

Isomeric SMILES

CCC1=C(C2=C(C1[CH2-])C=CC=C2[Si](C)(C3=CC=CC=C3)C4=CC=CC5=C4C(=C(C5[CH2-])CC)C6=CC=CC7=C6C8=CC=CC=C8C=C7)C9=CC=CC1=C9C2=CC=CC=C2C=C1.[Zr+2]

InChI

InChI=1S/C59H48Si.Zr/c1-6-44-37(3)46-27-17-31-52(58(46)56(44)50-29-15-21-41-35-33-39-19-11-13-25-48(39)54(41)50)60(5,43-23-9-8-10-24-43)53-32-18-28-47-38(4)45(7-2)57(59(47)53)51-30-16-22-42-36-34-40-20-12-14-26-49(40)55(42)51;/h8-38H,3-4,6-7H2,1-2,5H3;/q-2;+2