2-oxidanyl-5-(phenylmethyl)benzoic acid; zirconium

Systemtic Name: 2-oxidanyl-5-(phenylmethyl)benzoic acid; zirconium Openeye Name: 5-benzyl-2-hydroxy-benzoic acid; zirconium CAS Name: 2-hydroxy-5-(phenylmethyl)benzoic acid; zirconium IUPAC Name: 5-benzyl-2-hydroxybenzoic acid; zirconium Traditional Name: 5-benzyl-2-hydroxy-benzoic acid; zirconium Formula: C28H24O6Zr MolecularWeight: 547.71056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=C(C=C2)O)C(=O)O.C1=CC=C(C=C1)CC2=CC(=C(C=C2)O)C(=O)O.[Zr]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=C(C=C2)O)C(=O)O.C1=CC=C(C=C1)CC2=CC(=C(C=C2)O)C(=O)O.[Zr]

InChI

InChI=1S/2C14H12O3.Zr/c2*15-13-7-6-11(9-12(13)14(16)17)8-10-4-2-1-3-5-10;/h2*1-7,9,15H,8H2,(H,16,17);