benzene; carbanide; 1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-ide; zirconium(4+); dichloride

Systemtic Name: benzene; carbanide; 1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-ide; zirconium(4+); dichloride Openeye Name: benzene; carbanide; 1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-ide; zirconium(4+); dichloride CAS Name: benzene; carbanide; 1-(1-cyclopenta-1,3-dienyl)-9H-fluoren-9-ide; zirconium(4+); dichloride IUPAC Name: benzene; carbanide; 1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-ide; zirconium(4+); dichloride Traditional Name: benzene; carbanide; 1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-ide; zirconium(4+); dichloride Formula: C62H52Cl2Zr2-2 MolecularWeight: 1050.43028

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].C1C=CC=C1C2=CC=CC3=C2[CH-]C4=CC=CC=C43.C1C=CC=C1C2=CC=CC3=C2[CH-]C4=CC=CC=C43.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.[Cl-].[Cl-].[Zr+4].[Zr+4]

Isomeric SMILES

[CH3-].[CH3-].C1C=CC=C1C2=CC=CC3=C2[CH-]C4=CC=CC=C43.C1C=CC=C1C2=CC=CC3=C2[CH-]C4=CC=CC=C43.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.[Cl-].[Cl-].[Zr+4].[Zr+4]

InChI

InChI=1S/2C18H13.4C6H5.2CH3.2ClH.2Zr/c2*1-2-7-13(6-1)15-10-5-11-17-16-9-4-3-8-14(16)12-18(15)17;4*1-2-4-6-5-3-1;;;;;;/h2*1-6,8-12H,7H2;4*1-5H;2*1H3;2*1H;;/q8*-1;;;2*+4/p-2