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

Systemtic Name: bis(2-ethyl-1-methanidyl-3-phenanthren-4-yl-1H-inden-4-yl)-dimethyl-silane; zirconium(2+) Openeye Name: bis[2-ethyl-1-methanidyl-3-(4-phenanthryl)-1H-inden-4-yl]-dimethyl-silane; zirconium(2+) CAS Name: bis[2-ethyl-1-methanidyl-3-(4-phenanthrenyl)-1H-inden-4-yl]-dimethylsilane; zirconium(2+) IUPAC Name: bis(2-ethyl-1-methanidyl-3-phenanthren-4-yl-1H-inden-4-yl)-dimethylsilane; zirconium(2+) Traditional Name: bis[2-ethyl-1-methanidyl-3-(4-phenanthryl)-1H-inden-4-yl]-dimethyl-silane; zirconium(2+) Formula: C54H46SiZr MolecularWeight: 814.25254

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C1[CH2-])C=CC=C2[Si](C)(C)C3=CC=CC4=C3C(=C(C4[CH2-])CC)C5=CC=CC6=C5C7=CC=CC=C7C=C6)C8=CC=CC9=C8C1=CC=CC=C1C=C9.[Zr+2]

Isomeric SMILES

CCC1=C(C2=C(C1[CH2-])C=CC=C2[Si](C)(C)C3=CC=CC4=C3C(=C(C4[CH2-])CC)C5=CC=CC6=C5C7=CC=CC=C7C=C6)C8=CC=CC9=C8C1=CC=CC=C1C=C9.[Zr+2]

InChI

InChI=1S/C54H46Si.Zr/c1-7-39-33(3)41-23-15-27-47(53(41)51(39)45-25-13-19-37-31-29-35-17-9-11-21-43(35)49(37)45)55(5,6)48-28-16-24-42-34(4)40(8-2)52(54(42)48)46-26-14-20-38-32-30-36-18-10-12-22-44(36)50(38)46;/h9-34H,3-4,7-8H2,1-2,5-6H3;/q-2;+2