2-ethanoyl-4-(trimethylazaniumyl)-3-[2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoyl]oxy-butanoate

Systemtic Name: 2-ethanoyl-4-(trimethylazaniumyl)-3-[2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoyl]oxy-butanoate Openeye Name: 2-acetyl-3-(2,3,4-trihydroxy-4-oxo-butanoyl)oxy-4-(trimethylammonio)butanoate CAS Name: 2-acetyl-3-(2,3,4-trihydroxy-1,4-dioxobutoxy)-4-(trimethylammonio)butanoate IUPAC Name: 2-acetyl-3-(2,3,4-trihydroxy-4-oxobutanoyl)oxy-4-(trimethylazaniumyl)butanoate Traditional Name: 2-acetyl-3-(2,3,4-trihydroxy-4-keto-butanoyl)oxy-4-(trimethylammonio)butyrate Formula: C13H21NO9 MolecularWeight: 335.30714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO9/c1-6(15)8(11(18)19)7(5-14(2,3)4)23-13(22)10(17)9(16)12(20)21/h7-10,16-17H,5H2,1-4H3,(H-,18,19,20,21)