cyclopentane; 5-methylhexa-3,5-dien-3-ylbenzene; zirconium(4+)

Systemtic Name: cyclopentane; 5-methylhexa-3,5-dien-3-ylbenzene; zirconium(4+) Openeye Name: cyclopentane; (1-ethyl-3-methyl-buta-1,3-dienyl)benzene; zirconium(4+) CAS Name: cyclopentane; 5-methylhexa-3,5-dien-3-ylbenzene; zirconium(4+) IUPAC Name: cyclopentane; 5-methylhexa-3,5-dien-3-ylbenzene; zirconium(4+) Traditional Name: cyclopentane; (1-ethyl-3-methyl-buta-1,3-dienyl)benzene; zirconium(4+) Formula: C23H34Zr+2 MolecularWeight: 401.74006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14.2C5H10.Zr/c1-4-12(10-11(2)3)13-8-6-5-7-9-13;2*1-2-4-5-3-1;/h5-9H,1-2,4H2,3H3;2*1-5H2;/q-2;;;+4