cyclopenta-1,3-diene; 9H-fluoren-9-ide; 2-methylbuta-1,3-diene; zirconium(4+); dichloride

Systemtic Name: cyclopenta-1,3-diene; 9H-fluoren-9-ide; 2-methylbuta-1,3-diene; zirconium(4+); dichloride Openeye Name: cyclopenta-1,3-diene; 9H-fluoren-9-ide; isoprene; zirconium(4+); dichloride CAS Name: cyclopenta-1,3-diene; 9H-fluoren-9-ide; 2-methylbuta-1,3-diene; zirconium(4+); dichloride IUPAC Name: cyclopenta-1,3-diene; 9H-fluoren-9-ide; 2-methylbuta-1,3-diene; zirconium(4+); dichloride Traditional Name: cyclopenta-1,3-diene; 9H-fluoren-9-ide; isoprene; zirconium(4+); dichloride Formula: C23H22Cl2Zr MolecularWeight: 460.55078

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C=C.C1C=CC=[C-]1.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC(=C)C=C.C1C=CC=[C-]1.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C13H9.C5H5.C5H8.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;1-4-5(2)3;;;/h1-9H;1-3H,4H2;4H,1-2H2,3H3;2*1H;/q2*-1;;;;+4/p-2