2-oxidanylpropane-1,2,3-tricarboxylic acid; trimethyl-[(2R)-4-oxidanyl-4-oxidanylidene-2-propanoyloxy-butyl]azanium

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylic acid; trimethyl-[(2R)-4-oxidanyl-4-oxidanylidene-2-propanoyloxy-butyl]azanium Openeye Name: citric acid; [(2R)-4-hydroxy-4-oxo-2-propanoyloxy-butyl]-trimethyl-ammonium CAS Name: [(2R)-4-hydroxy-4-oxo-2-(1-oxopropoxy)butyl]-trimethylammonium; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: [(2R)-4-hydroxy-4-oxo-2-propanoyloxybutyl]-trimethylazanium; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; [(2R)-4-hydroxy-4-keto-2-propionyloxy-butyl]-trimethyl-ammonium Formula: C16H28NO11+ MolecularWeight: 410.39362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H19NO4.C6H8O7/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4;7-3(8)1-6(13,5(11)12)2-4(9)10/h8H,5-7H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p+1/t8-;/m1./s1