1,2-dimethylcyclopenta-1,3-diene; 3-ethylphenol; zirconium

Systemtic Name: 1,2-dimethylcyclopenta-1,3-diene; 3-ethylphenol; zirconium Openeye Name: 1,2-dimethylcyclopenta-1,3-diene; 3-ethylphenol; zirconium CAS Name: 1,2-dimethylcyclopenta-1,3-diene; 3-ethylphenol; zirconium IUPAC Name: 1,2-dimethylcyclopenta-1,3-diene; 3-ethylphenol; zirconium Traditional Name: 1,2-dimethylcyclopenta-1,3-diene; 3-ethylphenol; zirconium Formula: C30H40O2Zr MolecularWeight: 523.8614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H10O.2C7H10.Zr/c2*1-2-7-4-3-5-8(9)6-7;2*1-6-4-3-5-7(6)2;/h2*3-6,9H,2H2,1H3;2*3-4H,5H2,1-2H3;