1H-inden-1-ide; [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene; zirconium(2+)

Systemtic Name: 1H-inden-1-ide; [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene; zirconium(2+) Openeye Name: 1H-inden-1-ide; [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene; zirconium(2+) CAS Name: 1H-inden-1-ide; [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene; zirconium(2+) IUPAC Name: 1H-inden-1-ide; [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene; zirconium(2+) Traditional Name: 1H-inden-1-ide; [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene; zirconium(2+) Formula: C25H21Zr+ MolecularWeight: 412.65824

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC2=CC=CC=C21.C1=CC=C(C=C1)C=CC=CC2=CC=CC=C2.[Zr+2]

Isomeric SMILES

[CH-]1C2=CC=CC=C2C=C1.C1=CC=C(C=C1)/C=C/C=C/C2=CC=CC=C2.[Zr+2]

InChI

InChI=1S/C16H14.C9H7.Zr/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;1-2-5-9-7-3-6-8(9)4-1;/h1-14H;1-7H;/q;-1;+2/b13-7+,14-8+;;