cyclopenta-1,3-diene; cyclopenta-1,4-dien-1-ylmethylbenzene; hydride; zirconium(4+)

Systemtic Name: cyclopenta-1,3-diene; cyclopenta-1,4-dien-1-ylmethylbenzene; hydride; zirconium(4+) Openeye Name: cyclopenta-1,3-diene; cyclopenta-1,4-dien-1-ylmethylbenzene; hydride; zirconium(4+) CAS Name: cyclopenta-1,3-diene; 1-cyclopenta-1,4-dienylmethylbenzene; hydride; zirconium(4+) IUPAC Name: cyclopenta-1,3-diene; cyclopenta-1,4-dien-1-ylmethylbenzene; hydride; zirconium(4+) Traditional Name: cyclopenta-1,3-diene; cyclopenta-1,4-dien-1-ylmethylbenzene; hydride; zirconium(4+) Formula: C17H18Zr MolecularWeight: 313.54882

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Descriptors Computed from Structure

Canonical SMILES:

[H-].[H-].C1C=CC=[C-]1.C1C=CC(=[C-]1)CC2=CC=CC=C2.[Zr+4]

Isomeric SMILES

[H-].[H-].C1C=CC=[C-]1.C1C=CC(=[C-]1)CC2=CC=CC=C2.[Zr+4]

InChI

InChI=1S/C12H11.C5H5.Zr.2H/c1-2-6-11(7-3-1)10-12-8-4-5-9-12;1-2-4-5-3-1;;;/h1-4,6-8H,5,10H2;1-3H,4H2;;;/q2*-1;+4;2*-1