phenol; N-phenyl-1-[5-(2-phenylpropan-2-yl)pyrrol-1-id-2-yl]methanimine; zirconium

Systemtic Name: phenol; N-phenyl-1-[5-(2-phenylpropan-2-yl)pyrrol-1-id-2-yl]methanimine; zirconium Openeye Name: 1-[5-(1-methyl-1-phenyl-ethyl)pyrrol-1-id-2-yl]-N-phenyl-methanimine; phenol; zirconium CAS Name: phenol; N-phenyl-1-[5-(2-phenylpropan-2-yl)-2-pyrrol-1-idyl]methanimine; zirconium IUPAC Name: phenol; N-phenyl-1-[5-(2-phenylpropan-2-yl)pyrrol-1-id-2-yl]methanimine; zirconium Traditional Name: (5-cumylpyrrol-1-id-2-yl)methylene-phenyl-amine; phenol; zirconium Formula: C32H31N2O2Zr- MolecularWeight: 566.82474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C([N-]2)C=NC3=CC=CC=C3.C1=CC=C(C=C1)O.C1=CC=C(C=C1)O.[Zr]

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C([N-]2)C=NC3=CC=CC=C3.C1=CC=C(C=C1)O.C1=CC=C(C=C1)O.[Zr]

InChI

InChI=1S/C20H19N2.2C6H6O.Zr/c1-20(2,16-9-5-3-6-10-16)19-14-13-18(22-19)15-21-17-11-7-4-8-12-17;2*7-6-4-2-1-3-5-6;/h3-15H,1-2H3;2*1-5,7H;/q-1;;;