2-butylcyclopenta-1,3-diene; zirconium(2+); diphenoxide

Systemtic Name: 2-butylcyclopenta-1,3-diene; zirconium(2+); diphenoxide Openeye Name: 2-butylcyclopenta-1,3-diene; zirconium(2+); diphenoxide CAS Name: 2-butylcyclopenta-1,3-diene; zirconium(2+); diphenoxide IUPAC Name: 2-butylcyclopenta-1,3-diene; zirconium(2+); diphenoxide Traditional Name: 2-butylcyclopenta-1,3-diene; zirconium(2+); diphenoxide Formula: C48H62O2Zr2-2 MolecularWeight: 853.45268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Zr+2].[Zr+2]

Isomeric SMILES

CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C9H13.2C6H6O.2Zr/c4*1-2-3-6-9-7-4-5-8-9;2*7-6-4-2-1-3-5-6;;/h4*4,7H,2-3,5-6H2,1H3;2*1-5,7H;;/q4*-1;;;2*+2/p-2