hexadecaoxidanium; benzene-1,2,4,5-tetracarboxylic acid; cobalt; trihydrate

Systemtic Name: hexadecaoxidanium; benzene-1,2,4,5-tetracarboxylic acid; cobalt; trihydrate Openeye Name: hexadecaoxonium; benzene-1,2,4,5-tetracarboxylic acid; cobalt; trihydrate CAS Name: hexadecaoxonium; benzene-1,2,4,5-tetracarboxylic acid; cobalt; trihydrate IUPAC Name: hexadecaoxidanium; benzene-1,2,4,5-tetracarboxylic acid; cobalt; trihydrate Traditional Name: hexadecaoxonium; cobalt; pyromellitic acid; trihydrate Formula: C20H66Co7O35+16 MolecularWeight: 1279.24944

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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+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].O.O.O.[Co].[Co].[Co].[Co].[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+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].O.O.O.[Co].[Co].[Co].[Co].[Co].[Co].[Co]

InChI

InChI=1S/2C10H6O8.7Co.19H2O/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);;;;;;;;19*1H2/p+16