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

Systemtic Name: cyclopentane; 3-(diethoxyphosphorylmethylidene)pentoxymethylbenzene; zirconium(4+) Openeye Name: cyclopentane; 3-(diethoxyphosphorylmethylene)pentoxymethylbenzene; zirconium(4+) CAS Name: cyclopentane; 3-(diethoxyphosphorylmethylidene)pentoxymethylbenzene; zirconium(4+) IUPAC Name: cyclopentane; 3-(diethoxyphosphorylmethylidene)pentoxymethylbenzene; zirconium(4+) Traditional Name: cyclopentane; (4-diethoxyphosphoryl-3-ethyl-but-3-enoxy)methylbenzene; zirconium(4+) Formula: C27H35O4PZr+2 MolecularWeight: 545.762161

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)([C-]=C(C[CH2-])CCOCC1=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-])CCOCC1=CC=CC=C1)OCC.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+4]

InChI

InChI=1S/C17H25O4P.2C5H5.Zr/c1-4-16(15-22(18,20-5-2)21-6-3)12-13-19-14-17-10-8-7-9-11-17;2*1-2-4-5-3-1;/h7-11H,1,4-6,12-14H2,2-3H3;2*1-5H;/q-2;;;+4