octaoxidanium; cobalt; 4,6-dicarboxybenzene-1,3-dicarboxylate; hydrate

Systemtic Name: octaoxidanium; cobalt; 4,6-dicarboxybenzene-1,3-dicarboxylate; hydrate Openeye Name: octaoxonium; cobalt; 4,6-dicarboxybenzene-1,3-dicarboxylate; hydrate CAS Name: octaoxonium; cobalt; 4,6-dicarboxybenzene-1,3-dicarboxylate; hydrate IUPAC Name: octaoxidanium; cobalt; 4,6-dicarboxybenzene-1,3-dicarboxylate; hydrate Traditional Name: octaoxonium; cobalt; 4,6-dicarboxyisophthalate; hydrate Formula: C20H34Co3O25+4 MolecularWeight: 851.26856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C10H6O8.3Co.9H2O/c2*11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;;;;;;;;;;;;/h2*1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);;;;9*1H2/p+4