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

Systemtic Name: cyclopentane; (3-ethyl-1-phenyl-hexa-1,3-dien-2-yl)benzene; zirconium(4+) Openeye Name: cyclopentane; (3-ethyl-2-phenyl-hexa-1,3-dienyl)benzene; zirconium(4+) CAS Name: cyclopentane; (3-ethyl-1-phenylhexa-1,3-dien-2-yl)benzene; zirconium(4+) IUPAC Name: cyclopentane; (3-ethyl-1-phenylhexa-1,3-dien-2-yl)benzene; zirconium(4+) Traditional Name: cyclopentane; (3-ethyl-2-phenyl-hexa-1,3-dienyl)benzene; zirconium(4+) Formula: C30H40Zr+2 MolecularWeight: 491.8626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20.2C5H10.Zr/c1-3-11-18(4-2)20(19-14-9-6-10-15-19)16-17-12-7-5-8-13-17;2*1-2-4-5-3-1;/h5-10,12-15H,3-4H2,1-2H3;2*1-5H2;/q-2;;;+4