cyclopenta-1,3-diene; 3-phenylazanylphenol; zirconium(2+)

Systemtic Name: cyclopenta-1,3-diene; 3-phenylazanylphenol; zirconium(2+) Openeye Name: 3-anilinophenol; cyclopenta-1,3-diene; zirconium(2+) CAS Name: 3-anilinophenol; cyclopenta-1,3-diene; zirconium(2+) IUPAC Name: 3-anilinophenol; cyclopenta-1,3-diene; zirconium(2+) Traditional Name: 3-anilinophenol; cyclopenta-1,3-diene; zirconium(2+) Formula: C34H32N2O2Zr MolecularWeight: 591.85408

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC=C(C=C1)NC2=CC(=CC=C2)O.C1=CC=C(C=C1)NC2=CC(=CC=C2)O.[Zr+2]

Isomeric SMILES

C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC=C(C=C1)NC2=CC(=CC=C2)O.C1=CC=C(C=C1)NC2=CC(=CC=C2)O.[Zr+2]

InChI

InChI=1S/2C12H11NO.2C5H5.Zr/c2*14-12-8-4-7-11(9-12)13-10-5-2-1-3-6-10;2*1-2-4-5-3-1;/h2*1-9,13-14H;2*1-3H,4H2;/q;;2*-1;+2