1,2-dimethylcyclopenta-1,3-diene; 4-oxidanylbenzenecarbonitrile; zirconium

Systemtic Name: 1,2-dimethylcyclopenta-1,3-diene; 4-oxidanylbenzenecarbonitrile; zirconium Openeye Name: 1,2-dimethylcyclopenta-1,3-diene; 4-hydroxybenzonitrile; zirconium CAS Name: 1,2-dimethylcyclopenta-1,3-diene; 4-hydroxybenzonitrile; zirconium IUPAC Name: 1,2-dimethylcyclopenta-1,3-diene; 4-hydroxybenzonitrile; zirconium Traditional Name: 1,2-dimethylcyclopenta-1,3-diene; 4-hydroxybenzonitrile; zirconium Formula: C28H30N2O2Zr MolecularWeight: 517.774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC1)C.CC1=C(C=CC1)C.C1=CC(=CC=C1C#N)O.C1=CC(=CC=C1C#N)O.[Zr]

Isomeric SMILES

CC1=C(C=CC1)C.CC1=C(C=CC1)C.C1=CC(=CC=C1C#N)O.C1=CC(=CC=C1C#N)O.[Zr]

InChI

InChI=1S/2C7H5NO.2C7H10.Zr/c2*8-5-6-1-3-7(9)4-2-6;2*1-6-4-3-5-7(6)2;/h2*1-4,9H;2*3-4H,5H2,1-2H3;