oxidanium; 2-carboxy-4-(3-carboxy-4-carboxylato-phenyl)carbonyl-benzoate; zinc; hydroxide; hydrate

Systemtic Name: oxidanium; 2-carboxy-4-(3-carboxy-4-carboxylato-phenyl)carbonyl-benzoate; zinc; hydroxide; hydrate Openeye Name: oxonium; 2-carboxy-4-(3-carboxy-4-carboxylato-benzoyl)benzoate; zinc; hydroxide; hydrate CAS Name: oxonium; 2-carboxy-4-[(3-carboxy-4-carboxylatophenyl)-oxomethyl]benzoate; zinc; hydroxide; hydrate IUPAC Name: oxidanium; 2-carboxy-4-(3-carboxy-4-carboxylatobenzoyl)benzoate; zinc; hydroxide; hydrate Traditional Name: oxonium; 2-carboxy-4-(3-carboxy-4-carboxylato-benzoyl)benzoate; zinc; hydroxide; hydrate Formula: C17H14O12Zn3-2 MolecularWeight: 606.51286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)C(=O)[O-])C(=O)O)C(=O)O)C(=O)[O-].[OH3+].O.[OH-].[Zn].[Zn].[Zn]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)C(=O)[O-])C(=O)O)C(=O)O)C(=O)[O-].[OH3+].O.[OH-].[Zn].[Zn].[Zn]

InChI

InChI=1S/C17H10O9.3H2O.3Zn/c18-13(7-1-3-9(14(19)20)11(5-7)16(23)24)8-2-4-10(15(21)22)12(6-8)17(25)26;;;;;;/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26);3*1H2;;;/p-2