cyclopenta-1,3-diene; (5-methyl-1-phenyl-hexa-2,4-dien-2-yl)benzene; zirconium(4+)

Systemtic Name: cyclopenta-1,3-diene; (5-methyl-1-phenyl-hexa-2,4-dien-2-yl)benzene; zirconium(4+) Openeye Name: cyclopenta-1,3-diene; (5-methyl-2-phenyl-hexa-2,4-dienyl)benzene; zirconium(4+) CAS Name: cyclopenta-1,3-diene; (5-methyl-1-phenylhexa-2,4-dien-2-yl)benzene; zirconium(4+) IUPAC Name: cyclopenta-1,3-diene; (5-methyl-1-phenylhexa-2,4-dien-2-yl)benzene; zirconium(4+) Traditional Name: cyclopenta-1,3-diene; (5-methyl-2-phenyl-hexa-2,4-dienyl)benzene; zirconium(4+) Formula: C29H28Zr MolecularWeight: 467.75662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18.2C5H5.Zr/c1-16(2)13-14-19(18-11-7-4-8-12-18)15-17-9-5-3-6-10-17;2*1-2-4-5-3-1;/h3-13,15H,1-2H3;2*1-5H;/q-2;2*-1;+4