cyclopenta-1,3-diene; 1-phenylbuta-1,3-dien-2-ylbenzene; zirconium

Systemtic Name: cyclopenta-1,3-diene; 1-phenylbuta-1,3-dien-2-ylbenzene; zirconium Openeye Name: cyclopenta-1,3-diene; 2-phenylbuta-1,3-dienylbenzene; zirconium CAS Name: cyclopenta-1,3-diene; 1-phenylbuta-1,3-dien-2-ylbenzene; zirconium IUPAC Name: cyclopenta-1,3-diene; 1-phenylbuta-1,3-dien-2-ylbenzene; zirconium Traditional Name: cyclopenta-1,3-diene; 2-phenylbuta-1,3-dienylbenzene; zirconium Formula: C26H22Zr-4 MolecularWeight: 425.67688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12.2C5H5.Zr/c1-2-15(16-11-7-4-8-12-16)13-14-9-5-3-6-10-14;2*1-2-4-5-3-1;/h1-12H;2*1-5H;/q-2;2*-1;