[3,4-bis(oxidanyl)phenyl] benzoate; zirconium

Systemtic Name: [3,4-bis(oxidanyl)phenyl] benzoate; zirconium Openeye Name: (3,4-dihydroxyphenyl) benzoate; zirconium CAS Name: benzoic acid (3,4-dihydroxyphenyl) ester; zirconium IUPAC Name: (3,4-dihydroxyphenyl) benzoate; zirconium Traditional Name: benzoic acid (3,4-dihydroxyphenyl) ester; zirconium Formula: C26H20O8Zr MolecularWeight: 551.6562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)O)O.C1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)O)O.[Zr]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)O)O.C1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)O)O.[Zr]

InChI

InChI=1S/2C13H10O4.Zr/c2*14-11-7-6-10(8-12(11)15)17-13(16)9-4-2-1-3-5-9;/h2*1-8,14-15H;