trisodium cyclohexane-1,1,2,2,3,3-hexacarboxylate

Systemtic Name: trisodium cyclohexane-1,1,2,2,3,3-hexacarboxylate Openeye Name: trisodium cyclohexane-1,1,2,2,3,3-hexacarboxylate CAS Name: trisodium cyclohexane-1,1,2,2,3,3-hexacarboxylate IUPAC Name: trisodium cyclohexane-1,1,2,2,3,3-hexacarboxylate Traditional Name: trisodium cyclohexane-1,1,2,2,3,3-hexacarboxylate Formula: C12H6Na3O12-3 MolecularWeight: 411.13815

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C(C1)(C(=O)[O-])C(=O)[O-])(C(=O)[O-])C(=O)[O-])(C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1CC(C(C(C1)(C(=O)[O-])C(=O)[O-])(C(=O)[O-])C(=O)[O-])(C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C12H12O12.3Na/c13-4(14)10(5(15)16)2-1-3-11(6(17)18,7(19)20)12(10,8(21)22)9(23)24;;;/h1-3H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24);;;/q;3*+1/p-6