trisodium 3-carboxypentanedioate

Systemtic Name: trisodium 3-carboxypentanedioate Openeye Name: trisodium 3-carboxypentanedioate CAS Name: trisodium 3-carboxypentanedioate IUPAC Name: trisodium 3-carboxypentanedioate Traditional Name: trisodium 3-carboxyglutarate Formula: C18H18Na3O18-3 MolecularWeight: 591.29403

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Descriptors Computed from Structure

Canonical SMILES:

C(C(CC(=O)[O-])C(=O)O)C(=O)[O-].C(C(CC(=O)[O-])C(=O)O)C(=O)[O-].C(C(CC(=O)[O-])C(=O)O)C(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C(C(CC(=O)[O-])C(=O)O)C(=O)[O-].C(C(CC(=O)[O-])C(=O)O)C(=O)[O-].C(C(CC(=O)[O-])C(=O)O)C(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/3C6H8O6.3Na/c3*7-4(8)1-3(6(11)12)2-5(9)10;;;/h3*3H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;;3*+1/p-6