3-iodanylphenol; 1,2,3,4-tetramethylcyclopenta-1,3-diene; zirconium

Systemtic Name: 3-iodanylphenol; 1,2,3,4-tetramethylcyclopenta-1,3-diene; zirconium Openeye Name: 3-iodophenol; 1,2,3,4-tetramethylcyclopenta-1,3-diene; zirconium CAS Name: 3-iodophenol; 1,2,3,4-tetramethylcyclopenta-1,3-diene; zirconium IUPAC Name: 3-iodophenol; 1,2,3,4-tetramethylcyclopenta-1,3-diene; zirconium Traditional Name: 3-iodophenol; 1,2,3,4-tetramethylcyclopenta-1,3-diene; zirconium Formula: C30H38I2O2Zr MolecularWeight: 775.65446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C9H14.2C6H5IO.Zr/c2*1-6-5-7(2)9(4)8(6)3;2*7-5-2-1-3-6(8)4-5;/h2*5H2,1-4H3;2*1-4,8H;