cyclopenta-1,3-diene; 2-ethylhexanoate; zirconium(2+)

Systemtic Name: cyclopenta-1,3-diene; 2-ethylhexanoate; zirconium(2+) Openeye Name: cyclopenta-1,3-diene; 2-ethylhexanoate; zirconium(2+) CAS Name: cyclopenta-1,3-diene; 2-ethylhexanoate; zirconium(2+) IUPAC Name: cyclopenta-1,3-diene; 2-ethylhexanoate; zirconium(2+) Traditional Name: cyclopenta-1,3-diene; 2-ethylhexanoate; zirconium(2+) Formula: C39H60O6Zr3 MolecularWeight: 898.5621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+2].[Zr+2].[Zr+2]

Isomeric SMILES

CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+2].[Zr+2].[Zr+2]

InChI

InChI=1S/3C8H16O2.3C5H5.3Zr/c3*1-3-5-6-7(4-2)8(9)10;3*1-2-4-5-3-1;;;/h3*7H,3-6H2,1-2H3,(H,9,10);3*1-3H,4H2;;;/q;;;3*-1;3*+2/p-3