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

Systemtic Name: bis(1-methanidyl-2-methyl-3-phenanthren-4-yl-1H-inden-4-yl)-dimethyl-silane; zirconium(2+) Openeye Name: bis[1-methanidyl-2-methyl-3-(4-phenanthryl)-1H-inden-4-yl]-dimethyl-silane; zirconium(2+) CAS Name: bis[1-methanidyl-2-methyl-3-(4-phenanthrenyl)-1H-inden-4-yl]-dimethylsilane; zirconium(2+) IUPAC Name: bis(1-methanidyl-2-methyl-3-phenanthren-4-yl-1H-inden-4-yl)-dimethylsilane; zirconium(2+) Traditional Name: bis[1-methanidyl-2-methyl-3-(4-phenanthryl)-1H-inden-4-yl]-dimethyl-silane; zirconium(2+) Formula: C52H42SiZr MolecularWeight: 786.19938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1[CH2-])C=CC=C2[Si](C)(C)C3=CC=CC4=C3C(=C(C4[CH2-])C)C5=CC=CC6=C5C7=CC=CC=C7C=C6)C8=CC=CC9=C8C1=CC=CC=C1C=C9.[Zr+2]

Isomeric SMILES

CC1=C(C2=C(C1[CH2-])C=CC=C2[Si](C)(C)C3=CC=CC4=C3C(=C(C4[CH2-])C)C5=CC=CC6=C5C7=CC=CC=C7C=C6)C8=CC=CC9=C8C1=CC=CC=C1C=C9.[Zr+2]

InChI

InChI=1S/C52H42Si.Zr/c1-31-33(3)47(43-23-11-17-37-29-27-35-15-7-9-19-41(35)49(37)43)51-39(31)21-13-25-45(51)53(5,6)46-26-14-22-40-32(2)34(4)48(52(40)46)44-24-12-18-38-30-28-36-16-8-10-20-42(36)50(38)44;/h7-32H,1-2H2,3-6H3;/q-2;+2