2-tert-butylcyclopenta-1,3-diene; 4-ethylphenol; zirconium

Systemtic Name: 2-tert-butylcyclopenta-1,3-diene; 4-ethylphenol; zirconium Openeye Name: 2-tert-butylcyclopenta-1,3-diene; 4-ethylphenol; zirconium CAS Name: 2-tert-butylcyclopenta-1,3-diene; 4-ethylphenol; zirconium IUPAC Name: 2-tert-butylcyclopenta-1,3-diene; 4-ethylphenol; zirconium Traditional Name: 2-tert-butylcyclopenta-1,3-diene; 4-ethylphenol; zirconium Formula: C25H33O2Zr- MolecularWeight: 456.75232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13.2C8H10O.Zr/c1-9(2,3)8-6-4-5-7-8;2*1-2-7-3-5-8(9)6-4-7;/h4,6H,5H2,1-3H3;2*3-6,9H,2H2,1H3;/q-1;;;