3-oxidanyl-4-(trimethylazaniumyl)butanoate; 2,3,4,5,6-pentakis(oxidanyl)hexanal

Systemtic Name: 3-oxidanyl-4-(trimethylazaniumyl)butanoate; 2,3,4,5,6-pentakis(oxidanyl)hexanal Openeye Name: 3-hydroxy-4-(trimethylammonio)butanoate; 2,3,4,5,6-pentahydroxyhexanal CAS Name: 3-hydroxy-4-(trimethylammonio)butanoate; 2,3,4,5,6-pentahydroxyhexanal IUPAC Name: 3-hydroxy-4-(trimethylazaniumyl)butanoate; 2,3,4,5,6-pentahydroxyhexanal Traditional Name: 3-hydroxy-4-(trimethylammonio)butyrate; 2,3,4,5,6-pentahydroxyhexanal Formula: C13H27NO9 MolecularWeight: 341.35478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H15NO3.C6H12O6/c1-8(2,3)5-6(9)4-7(10)11;7-1-3(9)5(11)6(12)4(10)2-8/h6,9H,4-5H2,1-3H3;1,3-6,8-12H,2H2