[(1E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene; zirconium(2+)

Systemtic Name: [(1E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene; zirconium(2+) Openeye Name: [(E)-2,3-diphenyl-1-(phenylmethylene)allyl]benzene; zirconium(2+) CAS Name: [(1E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene; zirconium(2+) IUPAC Name: [(1E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene; zirconium(2+) Traditional Name: [(E)-2,3-diphenyl-1-(phenylmethylene)allyl]benzene; zirconium(2+) Formula: C28H21Zr+ MolecularWeight: 448.69034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=C(C2=CC=CC=C2)C(=[C-]C3=CC=CC=C3)C4=CC=CC=C4.[Zr+2]

Isomeric SMILES

C1=CC=C(C=C1)/C=C(\C2=CC=CC=C2)/C(=[C-]C3=CC=CC=C3)C4=CC=CC=C4.[Zr+2]

InChI

InChI=1S/C28H21.Zr/c1-5-13-23(14-6-1)21-27(25-17-9-3-10-18-25)28(26-19-11-4-12-20-26)22-24-15-7-2-8-16-24;/h1-21H;/q-1;+2/b27-21+;