cyclopenta-1,3-diene; (3-methyl-1-phenyl-penta-1,3-dien-2-yl)benzene; zirconium

Systemtic Name: cyclopenta-1,3-diene; (3-methyl-1-phenyl-penta-1,3-dien-2-yl)benzene; zirconium Openeye Name: cyclopenta-1,3-diene; [2-methyl-1-(phenylmethylene)but-2-enyl]benzene; zirconium CAS Name: cyclopenta-1,3-diene; (3-methyl-1-phenylpenta-1,3-dien-2-yl)benzene; zirconium IUPAC Name: cyclopenta-1,3-diene; (3-methyl-1-phenylpenta-1,3-dien-2-yl)benzene; zirconium Traditional Name: cyclopenta-1,3-diene; [2-methyl-1-(phenylmethylene)but-2-enyl]benzene; zirconium Formula: C28H26Zr-4 MolecularWeight: 453.73004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16.2C5H5.Zr/c1-3-15(2)18(17-12-8-5-9-13-17)14-16-10-6-4-7-11-16;2*1-2-4-5-3-1;/h4-13H,1-2H3;2*1-5H;/q-2;2*-1;