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

Systemtic Name: 4-methylphenol; 1,2,4-trimethylcyclopenta-1,3-diene; zirconium Openeye Name: p-cresol; 1,2,4-trimethylcyclopenta-1,3-diene; zirconium CAS Name: 4-methylphenol; 1,2,4-trimethylcyclopenta-1,3-diene; zirconium IUPAC Name: 4-methylphenol; 1,2,4-trimethylcyclopenta-1,3-diene; zirconium Traditional Name: p-cresol; 1,2,4-trimethylcyclopenta-1,3-diene; zirconium Formula: C30H40O2Zr MolecularWeight: 523.8614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H12.2C7H8O.Zr/c2*1-6-4-7(2)8(3)5-6;2*1-6-2-4-7(8)5-3-6;/h2*4H,5H2,1-3H3;2*2-5,8H,1H3;