2-oxidanylcyclohepta-2,4,6-trien-1-one; zirconium

Systemtic Name: 2-oxidanylcyclohepta-2,4,6-trien-1-one; zirconium Openeye Name: 2-hydroxycyclohepta-2,4,6-trien-1-one; zirconium CAS Name: 2-hydroxy-1-cyclohepta-2,4,6-trienone; zirconium IUPAC Name: 2-hydroxycyclohepta-2,4,6-trien-1-one; zirconium Traditional Name: 2-hydroxycyclohepta-2,4,6-trien-1-one; zirconium Formula: C28H24O8Zr MolecularWeight: 579.70936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C7H6O2.Zr/c4*8-6-4-2-1-3-5-7(6)9;/h4*1-5H,(H,8,9);