3-methylphenol; 1,2,4-trimethylcyclopenta-1,3-diene; zirconium

Systemtic Name: 3-methylphenol; 1,2,4-trimethylcyclopenta-1,3-diene; zirconium Openeye Name: m-cresol; 1,2,4-trimethylcyclopenta-1,3-diene; zirconium CAS Name: 3-methylphenol; 1,2,4-trimethylcyclopenta-1,3-diene; zirconium IUPAC Name: 3-methylphenol; 1,2,4-trimethylcyclopenta-1,3-diene; zirconium Traditional Name: m-cresol; 1,2,4-trimethylcyclopenta-1,3-diene; zirconium Formula: C22H28O2Zr MolecularWeight: 415.68052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12.2C7H8O.Zr/c1-6-4-7(2)8(3)5-6;2*1-6-3-2-4-7(8)5-6;/h4H,5H2,1-3H3;2*2-5,8H,1H3;