cyclopentane; 1,3,4-triphenylbuta-1,3-dien-2-ylbenzene; zirconium(2+)

Systemtic Name: cyclopentane; 1,3,4-triphenylbuta-1,3-dien-2-ylbenzene; zirconium(2+) Openeye Name: cyclopentane; [2,3-diphenyl-1-(phenylmethylene)allyl]benzene; zirconium(2+) CAS Name: cyclopentane; 1,3,4-triphenylbuta-1,3-dien-2-ylbenzene; zirconium(2+) IUPAC Name: cyclopentane; 1,3,4-triphenylbuta-1,3-dien-2-ylbenzene; zirconium(2+) Traditional Name: cyclopentane; [2,3-diphenyl-1-(phenylmethylene)allyl]benzene; zirconium(2+) Formula: C38H30Zr MolecularWeight: 577.8688

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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.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[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.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+2]

InChI

InChI=1S/C28H20.2C5H5.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;2*1-2-4-5-3-1;/h1-20H;2*1-5H;/q-2;;;+2