hexaazanium cyclohexane-1,2,3,4,5,6-hexacarboxylate

Systemtic Name: hexaazanium cyclohexane-1,2,3,4,5,6-hexacarboxylate Openeye Name: hexaammonium cyclohexane-1,2,3,4,5,6-hexacarboxylate CAS Name: hexaammonium cyclohexane-1,2,3,4,5,6-hexacarboxylate IUPAC Name: hexaazanium cyclohexane-1,2,3,4,5,6-hexacarboxylate Traditional Name: hexaammonium cyclohexane-1,2,3,4,5,6-hexacarboxylate Formula: C12H30N6O12 MolecularWeight: 450.3996

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Descriptors Computed from Structure

Canonical SMILES:

C1(C(C(C(C(C1C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]

Isomeric SMILES

C1(C(C(C(C(C1C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]

InChI

InChI=1S/C12H12O12.6H3N/c13-7(14)1-2(8(15)16)4(10(19)20)6(12(23)24)5(11(21)22)3(1)9(17)18;;;;;;/h1-6H,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24);6*1H3