2-butylcyclopenta-1,3-diene; 4-oxidanylbenzenecarbonitrile; zirconium(2+)

Systemtic Name: 2-butylcyclopenta-1,3-diene; 4-oxidanylbenzenecarbonitrile; zirconium(2+) Openeye Name: 2-butylcyclopenta-1,3-diene; 4-hydroxybenzonitrile; zirconium(2+) CAS Name: 2-butylcyclopenta-1,3-diene; 4-hydroxybenzonitrile; zirconium(2+) IUPAC Name: 2-butylcyclopenta-1,3-diene; 4-hydroxybenzonitrile; zirconium(2+) Traditional Name: 2-butylcyclopenta-1,3-diene; 4-hydroxybenzonitrile; zirconium(2+) Formula: C32H36N2O2Zr MolecularWeight: 571.86444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.C1=CC(=CC=C1C#N)O.C1=CC(=CC=C1C#N)O.[Zr+2]

Isomeric SMILES

CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.C1=CC(=CC=C1C#N)O.C1=CC(=CC=C1C#N)O.[Zr+2]

InChI

InChI=1S/2C9H13.2C7H5NO.Zr/c2*1-2-3-6-9-7-4-5-8-9;2*8-5-6-1-3-7(9)4-2-6;/h2*4,7H,2-3,5-6H2,1H3;2*1-4,9H;/q2*-1;;;+2