copper 2-carboxy-5-(4-carboxy-3-carboxylato-phenyl)carbonyl-benzoate

Systemtic Name: copper 2-carboxy-5-(4-carboxy-3-carboxylato-phenyl)carbonyl-benzoate Openeye Name: copper 2-carboxy-5-(4-carboxy-3-carboxylato-benzoyl)benzoate CAS Name: copper 2-carboxy-5-[(4-carboxy-3-carboxylatophenyl)-oxomethyl]benzoate IUPAC Name: copper 2-carboxy-5-(4-carboxy-3-carboxylatobenzoyl)benzoate Traditional Name: cupric 2-carboxy-5-(4-carboxy-3-carboxylato-benzoyl)benzoate Formula: C17H8CuO9 MolecularWeight: 419.78602

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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.[Cu+2]

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.[Cu+2]

InChI

InChI=1S/C17H10O9.Cu/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);/q;+2/p-2