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

Systemtic Name: cyclopentane; [3-ethyl-1-(2-phenylcyclobuten-1-yl)hexa-1,3-dien-2-yl]benzene; zirconium(4+) Openeye Name: cyclopentane; [2-ethyl-1-[(2-phenylcyclobuten-1-yl)methylene]pent-2-enyl]benzene; zirconium(4+) CAS Name: cyclopentane; [3-ethyl-1-(2-phenyl-1-cyclobutenyl)hexa-1,3-dien-2-yl]benzene; zirconium(4+) IUPAC Name: cyclopentane; [3-ethyl-1-(2-phenylcyclobuten-1-yl)hexa-1,3-dien-2-yl]benzene; zirconium(4+) Traditional Name: cyclopentane; [2-ethyl-1-[(2-phenylcyclobuten-1-yl)methylene]pent-2-enyl]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=C(CC1)C2=CC=CC=C2)C3=CC=CC=C3.C1CCCC1.C1CCCC1.[Zr+4]

Isomeric SMILES

CC[C-]=C(CC)C(=[C-]C1=C(CC1)C2=CC=CC=C2)C3=CC=CC=C3.C1CCCC1.C1CCCC1.[Zr+4]

InChI

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