oxidanium; 2-[bis(oxidanyl)methyl]terephthalic acid; copper; hexahydrate

Systemtic Name: oxidanium; 2-[bis(oxidanyl)methyl]terephthalic acid; copper; hexahydrate Openeye Name: oxonium; copper; 2-(dihydroxymethyl)terephthalic acid; hexahydrate CAS Name: oxonium; copper; 2-(dihydroxymethyl)terephthalic acid; hexahydrate IUPAC Name: oxidanium; copper; 2-(dihydroxymethyl)terephthalic acid; hexahydrate Traditional Name: oxonium; copper; 2-(dihydroxymethyl)terephthalic acid; hexahydrate Formula: C18H31Cu6O19+ MolecularWeight: 932.70334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)C(O)O)C(=O)O.C1=CC(=C(C=C1C(=O)O)C(O)O)C(=O)O.[OH3+].O.O.O.O.O.O.[Cu].[Cu].[Cu].[Cu].[Cu].[Cu]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)C(O)O)C(=O)O.C1=CC(=C(C=C1C(=O)O)C(O)O)C(=O)O.[OH3+].O.O.O.O.O.O.[Cu].[Cu].[Cu].[Cu].[Cu].[Cu]

InChI

InChI=1S/2C9H8O6.6Cu.7H2O/c2*10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15;;;;;;;;;;;;;/h2*1-3,9,14-15H,(H,10,11)(H,12,13);;;;;;;7*1H2/p+1