3,4-bis(oxidanyl)benzoic acid; zirconium

Systemtic Name: 3,4-bis(oxidanyl)benzoic acid; zirconium Openeye Name: 3,4-dihydroxybenzoic acid; zirconium CAS Name: 3,4-dihydroxybenzoic acid; zirconium IUPAC Name: 3,4-dihydroxybenzoic acid; zirconium Traditional Name: protocatechuic acid; zirconium Formula: C14H12O8Zr MolecularWeight: 399.46428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)O)O.C1=CC(=C(C=C1C(=O)O)O)O.[Zr]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)O)O.C1=CC(=C(C=C1C(=O)O)O)O.[Zr]

InChI

InChI=1S/2C7H6O4.Zr/c2*8-5-2-1-4(7(10)11)3-6(5)9;/h2*1-3,8-9H,(H,10,11);