5-(dioxidanylmethyl)-2-oxidanyl-benzoic acid; 4-oxidanylbenzene-1,3-dicarboxylic acid; zirconium

Systemtic Name: 5-(dioxidanylmethyl)-2-oxidanyl-benzoic acid; 4-oxidanylbenzene-1,3-dicarboxylic acid; zirconium Openeye Name: 5-(hydroperoxymethyl)-2-hydroxy-benzoic acid; 4-hydroxybenzene-1,3-dicarboxylic acid; zirconium CAS Name: 5-(hydroperoxymethyl)-2-hydroxybenzoic acid; 4-hydroxybenzene-1,3-dicarboxylic acid; zirconium IUPAC Name: 5-(hydroperoxymethyl)-2-hydroxybenzoic acid; 4-hydroxybenzene-1,3-dicarboxylic acid; zirconium Traditional Name: 5-(hydroperoxymethyl)-2-hydroxy-benzoic acid; 4-hydroxyisophthalic acid; zirconium Formula: C16H14O10Zr MolecularWeight: 457.50036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1COO)C(=O)O)O.C1=CC(=C(C=C1C(=O)O)C(=O)O)O.[Zr]

Isomeric SMILES

C1=CC(=C(C=C1COO)C(=O)O)O.C1=CC(=C(C=C1C(=O)O)C(=O)O)O.[Zr]

InChI

InChI=1S/C8H8O5.C8H6O5.Zr/c9-7-2-1-5(4-13-12)3-6(7)8(10)11;9-6-2-1-4(7(10)11)3-5(6)8(12)13;/h1-3,9,12H,4H2,(H,10,11);1-3,9H,(H,10,11)(H,12,13);