2,5-diethylphenol; 1,2-dimethylcyclopenta-1,3-diene; zirconium

Systemtic Name: 2,5-diethylphenol; 1,2-dimethylcyclopenta-1,3-diene; zirconium Openeye Name: 2,5-diethylphenol; 1,2-dimethylcyclopenta-1,3-diene; zirconium CAS Name: 2,5-diethylphenol; 1,2-dimethylcyclopenta-1,3-diene; zirconium IUPAC Name: 2,5-diethylphenol; 1,2-dimethylcyclopenta-1,3-diene; zirconium Traditional Name: 2,5-diethylphenol; 1,2-dimethylcyclopenta-1,3-diene; zirconium Formula: C34H48O2Zr MolecularWeight: 579.96772

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)O.CCC1=CC(=C(C=C1)CC)O.CC1=C(C=CC1)C.CC1=C(C=CC1)C.[Zr]

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)O.CCC1=CC(=C(C=C1)CC)O.CC1=C(C=CC1)C.CC1=C(C=CC1)C.[Zr]

InChI

InChI=1S/2C10H14O.2C7H10.Zr/c2*1-3-8-5-6-9(4-2)10(11)7-8;2*1-6-4-3-5-7(6)2;/h2*5-7,11H,3-4H2,1-2H3;2*3-4H,5H2,1-2H3;