2-oxidanylidenepentanedioic acid; trimethyl-[(2R)-4-oxidanyl-4-oxidanylidene-2-pentanoyloxy-butyl]azanium

Systemtic Name: 2-oxidanylidenepentanedioic acid; trimethyl-[(2R)-4-oxidanyl-4-oxidanylidene-2-pentanoyloxy-butyl]azanium Openeye Name: [(2R)-4-hydroxy-4-oxo-2-pentanoyloxy-butyl]-trimethyl-ammonium; 2-oxopentanedioic acid CAS Name: [(2R)-4-hydroxy-4-oxo-2-(1-oxopentoxy)butyl]-trimethylammonium; 2-oxopentanedioic acid IUPAC Name: [(2R)-4-hydroxy-4-oxo-2-pentanoyloxybutyl]-trimethylazanium; 2-oxopentanedioic acid Traditional Name: [(2R)-4-hydroxy-4-keto-2-valeryloxy-butyl]-trimethyl-ammonium; 2-ketoglutaric acid Formula: C17H30NO9+ MolecularWeight: 392.4214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C.C(CC(=O)O)C(=O)C(=O)O

Isomeric SMILES

CCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C.C(CC(=O)O)C(=O)C(=O)O

InChI

InChI=1S/C12H23NO4.C5H6O5/c1-5-6-7-12(16)17-10(8-11(14)15)9-13(2,3)4;6-3(5(9)10)1-2-4(7)8/h10H,5-9H2,1-4H3;1-2H2,(H,7,8)(H,9,10)/p+1/t10-;/m1./s1