cyclopentane; 3-(diethoxyphosphorylmethylidene)hexane; zirconium(4+)

Systemtic Name: cyclopentane; 3-(diethoxyphosphorylmethylidene)hexane; zirconium(4+) Openeye Name: cyclopentane; 3-(diethoxyphosphorylmethylene)hexane; zirconium(4+) CAS Name: cyclopentane; 3-(diethoxyphosphorylmethylidene)hexane; zirconium(4+) IUPAC Name: cyclopentane; 3-(diethoxyphosphorylmethylidene)hexane; zirconium(4+) Traditional Name: cyclopentane; 1-diethoxyphosphoryl-2-ethyl-pent-1-ene; zirconium(4+) Formula: C21H31O3PZr+2 MolecularWeight: 453.666801

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=[C-]P(=O)(OCC)OCC)C[CH2-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+4]

Isomeric SMILES

CCCC(=[C-]P(=O)(OCC)OCC)C[CH2-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+4]

InChI

InChI=1S/C11H21O3P.2C5H5.Zr/c1-5-9-11(6-2)10-15(12,13-7-3)14-8-4;2*1-2-4-5-3-1;/h2,5-9H2,1,3-4H3;2*1-5H;/q-2;;;+4