cyclopentane; [3-ethyl-2-(2-phenylcyclobuten-1-yl)hexa-1,3-dienyl]benzene; zirconium(4+)

Systemtic Name: cyclopentane; [3-ethyl-2-(2-phenylcyclobuten-1-yl)hexa-1,3-dienyl]benzene; zirconium(4+) Openeye Name: cyclopentane; [3-ethyl-2-(2-phenylcyclobuten-1-yl)hexa-1,3-dienyl]benzene; zirconium(4+) CAS Name: cyclopentane; [3-ethyl-2-(2-phenyl-1-cyclobutenyl)hexa-1,3-dienyl]benzene; zirconium(4+) IUPAC Name: cyclopentane; [3-ethyl-2-(2-phenylcyclobuten-1-yl)hexa-1,3-dienyl]benzene; zirconium(4+) Traditional Name: cyclopentane; [3-ethyl-2-(2-phenylcyclobuten-1-yl)hexa-1,3-dienyl]benzene; zirconium(4+) Formula: C34H44Zr+2 MolecularWeight: 543.93716

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Descriptors Computed from Structure

Canonical SMILES:

CC[C-]=C(CC)C(=[C-]C1=CC=CC=C1)C2=C(CC2)C3=CC=CC=C3.C1CCCC1.C1CCCC1.[Zr+4]

Isomeric SMILES

CC[C-]=C(CC)C(=[C-]C1=CC=CC=C1)C2=C(CC2)C3=CC=CC=C3.C1CCCC1.C1CCCC1.[Zr+4]

InChI

InChI=1S/C24H24.2C5H10.Zr/c1-3-11-20(4-2)24(18-19-12-7-5-8-13-19)23-17-16-22(23)21-14-9-6-10-15-21;2*1-2-4-5-3-1;/h5-10,12-15H,3-4,16-17H2,1-2H3;2*1-5H2;/q-2;;;+4