cyclopentane; 4-phenylhex-3-en-1-ynylbenzene; zirconium(4+)

Systemtic Name: cyclopentane; 4-phenylhex-3-en-1-ynylbenzene; zirconium(4+) Openeye Name: cyclopentane; (1-ethyl-4-phenyl-but-1-en-3-ynyl)benzene; zirconium(4+) CAS Name: cyclopentane; 4-phenylhex-3-en-1-ynylbenzene; zirconium(4+) IUPAC Name: cyclopentane; 4-phenylhex-3-en-1-ynylbenzene; zirconium(4+) Traditional Name: cyclopentane; (1-ethyl-4-phenyl-but-1-en-3-ynyl)benzene; zirconium(4+) Formula: C28H34Zr+2 MolecularWeight: 461.79356

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Descriptors Computed from Structure

Canonical SMILES:

[CH2-]CC(=[C-]C#CC1=CC=CC=C1)C2=CC=CC=C2.C1CCCC1.C1CCCC1.[Zr+4]

Isomeric SMILES

[CH2-]CC(=[C-]C#CC1=CC=CC=C1)C2=CC=CC=C2.C1CCCC1.C1CCCC1.[Zr+4]

InChI

InChI=1S/C18H14.2C5H10.Zr/c1-2-17(18-13-7-4-8-14-18)15-9-12-16-10-5-3-6-11-16;2*1-2-4-5-3-1;/h3-8,10-11,13-14H,1-2H2;2*1-5H2;/q-2;;;+4