cyclopentane; 1-diethoxyphosphorylbut-1-en-2-ylbenzene; zirconium(4+)

Systemtic Name: cyclopentane; 1-diethoxyphosphorylbut-1-en-2-ylbenzene; zirconium(4+) Openeye Name: cyclopentane; 1-(diethoxyphosphorylmethylene)propylbenzene; zirconium(4+) CAS Name: cyclopentane; 1-diethoxyphosphorylbut-1-en-2-ylbenzene; zirconium(4+) IUPAC Name: cyclopentane; 1-diethoxyphosphorylbut-1-en-2-ylbenzene; zirconium(4+) Traditional Name: cyclopentane; (2-diethoxyphosphoryl-1-ethyl-vinyl)benzene; zirconium(4+) Formula: C24H29O3PZr+2 MolecularWeight: 487.683021

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)([C-]=C(C[CH2-])C1=CC=CC=C1)OCC.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+4]

Isomeric SMILES

CCOP(=O)([C-]=C(C[CH2-])C1=CC=CC=C1)OCC.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+4]

InChI

InChI=1S/C14H19O3P.2C5H5.Zr/c1-4-13(14-10-8-7-9-11-14)12-18(15,16-5-2)17-6-3;2*1-2-4-5-3-1;/h7-11H,1,4-6H2,2-3H3;2*1-5H;/q-2;;;+4