trimethyl-[6-(trimethylazaniumyl)hexyl]azanium; 2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate

Systemtic Name: trimethyl-[6-(trimethylazaniumyl)hexyl]azanium; 2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate Openeye Name: 2,3,4-trihydroxy-4-oxo-butanoate; trimethyl-[6-(trimethylammonio)hexyl]ammonium CAS Name: 2,3,4-trihydroxy-4-oxobutanoate; trimethyl-[6-(trimethylammonio)hexyl]ammonium IUPAC Name: 2,3,4-trihydroxy-4-oxobutanoate; trimethyl-[6-(trimethylazaniumyl)hexyl]azanium Traditional Name: 2,3,4-trihydroxy-4-keto-butyrate; trimethyl-[6-(trimethylammonio)hexyl]ammonium Formula: C20H40N2O12 MolecularWeight: 500.5378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H30N2.2C4H6O6/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;2*5-1(3(7)8)2(6)4(9)10/h7-12H2,1-6H3;2*1-2,5-6H,(H,7,8)(H,9,10)/q+2;;/p-2