(3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: (3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: (3R)-3-acetoxy-4-(trimethylammonio)butanoate; citric acid CAS Name: (3R)-3-acetyloxy-4-(trimethylammonio)butanoate; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: (3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: (3R)-3-acetoxy-4-(trimethylammonio)butyrate; citric acid Formula: C15H25NO11 MolecularWeight: 395.3591

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=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/C9H17NO4.C6H8O7/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;7-3(8)1-6(13,5(11)12)2-4(9)10/h8H,5-6H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t8-;/m1./s1