7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxylate; zirconium(4+)

Systemtic Name: 7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxylate; zirconium(4+) Openeye Name: 7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxylate; zirconium(4+) CAS Name: 7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxylate; zirconium(4+) IUPAC Name: 7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxylate; zirconium(4+) Traditional Name: 7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxylate; zirconium(4+) Formula: C28H12O12Zr MolecularWeight: 631.61168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)O2)C(=O)[O-].C1=CC(=C2C(=C1)O2)C(=O)[O-].C1=CC(=C2C(=C1)O2)C(=O)[O-].C1=CC(=C2C(=C1)O2)C(=O)[O-].[Zr+4]

Isomeric SMILES

C1=CC(=C2C(=C1)O2)C(=O)[O-].C1=CC(=C2C(=C1)O2)C(=O)[O-].C1=CC(=C2C(=C1)O2)C(=O)[O-].C1=CC(=C2C(=C1)O2)C(=O)[O-].[Zr+4]

InChI

InChI=1S/4C7H4O3.Zr/c4*8-7(9)4-2-1-3-5-6(4)10-5;/h4*1-3H,(H,8,9);/q;;;;+4/p-4