9H-fluoren-9-ide; 9-(2-methyl-1H-inden-1-id-4-yl)phenanthrene; zirconium(2+); dichloride

Systemtic Name: 9H-fluoren-9-ide; 9-(2-methyl-1H-inden-1-id-4-yl)phenanthrene; zirconium(2+); dichloride Openeye Name: 9H-fluoren-9-ide; 9-(2-methyl-1H-inden-1-id-4-yl)phenanthrene; zirconium(2+); dichloride CAS Name: 9H-fluoren-9-ide; 9-(2-methyl-1H-inden-1-id-4-yl)phenanthrene; zirconium(2+); dichloride IUPAC Name: 9H-fluoren-9-ide; 9-(2-methyl-1H-inden-1-id-4-yl)phenanthrene; zirconium(2+); dichloride Traditional Name: 9H-fluoren-9-ide; 9-(2-methyl-1H-inden-1-id-4-yl)phenanthrene; zirconium(2+); dichloride Formula: C74H52Cl2Zr2-2 MolecularWeight: 1194.55868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.CC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.CC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C24H17.2C13H9.2ClH.2Zr/c2*1-16-13-17-8-6-12-22(23(17)14-16)24-15-18-7-2-3-9-19(18)20-10-4-5-11-21(20)24;2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;;;;/h2*2-15H,1H3;2*1-9H;2*1H;;/q4*-1;;;2*+2/p-2