3-chloranylphenol; 1,9-dihydrofluoren-1-ide; zirconium(2+)

Systemtic Name: 3-chloranylphenol; 1,9-dihydrofluoren-1-ide; zirconium(2+) Openeye Name: 3-chlorophenol; 1,9-dihydrofluoren-1-ide; zirconium(2+) CAS Name: 3-chlorophenol; 1,9-dihydrofluoren-1-ide; zirconium(2+) IUPAC Name: 3-chlorophenol; 1,9-dihydrofluoren-1-ide; zirconium(2+) Traditional Name: 3-chlorophenol; 1,9-dihydrofluoren-1-ide; zirconium(2+) Formula: C38H28Cl2O2Zr MolecularWeight: 678.75772

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C3=C1[C-]=CC=C3.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.C1=CC(=CC(=C1)Cl)O.C1=CC(=CC(=C1)Cl)O.[Zr+2]

Isomeric SMILES

C1C2=CC=CC=C2C3=C1[C-]=CC=C3.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.C1=CC(=CC(=C1)Cl)O.C1=CC(=CC(=C1)Cl)O.[Zr+2]

InChI

InChI=1S/2C13H9.2C6H5ClO.Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*7-5-2-1-3-6(8)4-5;/h2*1-5,7-8H,9H2;2*1-4,8H;/q2*-1;;;+2