cyclopentane; [2-ethylhept-1-enyl(phenoxy)phosphoryl]oxybenzene; zirconium(4+)

Systemtic Name: cyclopentane; [2-ethylhept-1-enyl(phenoxy)phosphoryl]oxybenzene; zirconium(4+) Openeye Name: cyclopentane; [2-ethylhept-1-enyl(phenoxy)phosphoryl]oxybenzene; zirconium(4+) CAS Name: cyclopentane; [2-ethylhept-1-enyl(phenoxy)phosphoryl]oxybenzene; zirconium(4+) IUPAC Name: cyclopentane; [2-ethylhept-1-enyl(phenoxy)phosphoryl]oxybenzene; zirconium(4+) Traditional Name: cyclopentane; [2-ethylhept-1-enyl(phenoxy)phosphoryl]oxybenzene; zirconium(4+) Formula: C31H35O3PZr+2 MolecularWeight: 577.805561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=[C-]P(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2)C[CH2-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+4]

Isomeric SMILES

CCCCCC(=[C-]P(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2)C[CH2-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+4]

InChI

InChI=1S/C21H25O3P.2C5H5.Zr/c1-3-5-8-13-19(4-2)18-25(22,23-20-14-9-6-10-15-20)24-21-16-11-7-12-17-21;2*1-2-4-5-3-1;/h6-7,9-12,14-17H,2-5,8,13H2,1H3;2*1-5H;/q-2;;;+4