cyclopenta-1,3-diene; phenylmethylbenzene; zirconium(4+)

Systemtic Name: cyclopenta-1,3-diene; phenylmethylbenzene; zirconium(4+) Openeye Name: cyclopenta-1,3-diene; phenylmethylbenzene; zirconium(4+) CAS Name: cyclopenta-1,3-diene; phenylmethylbenzene; zirconium(4+) IUPAC Name: cyclopenta-1,3-diene; phenylmethylbenzene; zirconium(4+) Traditional Name: cyclopenta-1,3-diene; phenylmethylbenzene; zirconium(4+) Formula: C44H38Zr MolecularWeight: 657.99652

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=[C-]1.C1=CC=C(C=C1)[CH-]C2=CC=CC=C2.C1=CC=C(C=C1)[CH-]C2=CC=CC=C2.C1=CC=C(C=C1)[CH-]C2=CC=CC=C2.[Zr+4]

Isomeric SMILES

C1C=CC=[C-]1.C1=CC=C(C=C1)[CH-]C2=CC=CC=C2.C1=CC=C(C=C1)[CH-]C2=CC=CC=C2.C1=CC=C(C=C1)[CH-]C2=CC=CC=C2.[Zr+4]

InChI

InChI=1S/3C13H11.C5H5.Zr/c3*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-2-4-5-3-1;/h3*1-11H;1-3H,4H2;/q4*-1;+4