5-ethanoyl-2-oxidanyl-benzoic acid; 2-oxidanyl-5-(phenylcarbonyl)benzoic acid; zirconium

Systemtic Name: 5-ethanoyl-2-oxidanyl-benzoic acid; 2-oxidanyl-5-(phenylcarbonyl)benzoic acid; zirconium Openeye Name: 5-acetyl-2-hydroxy-benzoic acid; 5-benzoyl-2-hydroxy-benzoic acid; zirconium CAS Name: 5-acetyl-2-hydroxybenzoic acid; 5-benzoyl-2-hydroxybenzoic acid; zirconium IUPAC Name: 5-acetyl-2-hydroxybenzoic acid; 5-benzoyl-2-hydroxybenzoic acid; zirconium Traditional Name: 5-acetyl-2-hydroxy-benzoic acid; 5-benzoyl-2-hydroxy-benzoic acid; zirconium Formula: C23H18O8Zr MolecularWeight: 513.60822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10O4.C9H8O4.Zr/c15-12-7-6-10(8-11(12)14(17)18)13(16)9-4-2-1-3-5-9;1-5(10)6-2-3-8(11)7(4-6)9(12)13;/h1-8,15H,(H,17,18);2-4,11H,1H3,(H,12,13);