4-methylphenol; 2-propan-2-ylcyclopenta-1,3-diene; zirconium(2+)

Systemtic Name: 4-methylphenol; 2-propan-2-ylcyclopenta-1,3-diene; zirconium(2+) Openeye Name: 2-isopropylcyclopenta-1,3-diene; p-cresol; zirconium(2+) CAS Name: 4-methylphenol; 2-propan-2-ylcyclopenta-1,3-diene; zirconium(2+) IUPAC Name: 4-methylphenol; 2-propan-2-ylcyclopenta-1,3-diene; zirconium(2+) Traditional Name: 2-isopropylcyclopenta-1,3-diene; p-cresol; zirconium(2+) Formula: C30H38O2Zr MolecularWeight: 521.84552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)O.CC1=CC=C(C=C1)O.CC(C)C1=[C-]CC=C1.CC(C)C1=[C-]CC=C1.[Zr+2]

Isomeric SMILES

CC1=CC=C(C=C1)O.CC1=CC=C(C=C1)O.CC(C)C1=[C-]CC=C1.CC(C)C1=[C-]CC=C1.[Zr+2]

InChI

InChI=1S/2C8H11.2C7H8O.Zr/c2*1-7(2)8-5-3-4-6-8;2*1-6-2-4-7(8)5-3-6;/h2*3,5,7H,4H2,1-2H3;2*2-5,8H,1H3;/q2*-1;;;+2