cyclopentane; 3-propylhepta-1,3-dien-2-ylbenzene; zirconium(4+)

Systemtic Name: cyclopentane; 3-propylhepta-1,3-dien-2-ylbenzene; zirconium(4+) Openeye Name: cyclopentane; (1-methanidylidene-2-propyl-hex-2-enyl)benzene; zirconium(4+) CAS Name: cyclopentane; 3-propylhepta-1,3-dien-2-ylbenzene; zirconium(4+) IUPAC Name: cyclopentane; 3-propylhepta-1,3-dien-2-ylbenzene; zirconium(4+) Traditional Name: cyclopentane; (1-methanidylidene-2-propyl-hex-2-enyl)benzene; zirconium(4+) Formula: C26H30Zr+2 MolecularWeight: 433.7404

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Descriptors Computed from Structure

Canonical SMILES:

CCC[C-]=C(CCC)C(=[CH-])C1=CC=CC=C1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+4]

Isomeric SMILES

CCC[C-]=C(CCC)C(=[CH-])C1=CC=CC=C1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+4]

InChI

InChI=1S/C16H20.2C5H5.Zr/c1-4-6-11-15(10-5-2)14(3)16-12-8-7-9-13-16;2*1-2-4-5-3-1;/h3,7-9,12-13H,4-6,10H2,1-2H3;2*1-5H;/q-2;;;+4