[3-carboxy-4-oxidanylidene-2-[2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoyl]oxy-pentyl]-trimethyl-azanium

Systemtic Name: [3-carboxy-4-oxidanylidene-2-[2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoyl]oxy-pentyl]-trimethyl-azanium Openeye Name: [3-carboxy-4-oxo-2-(2,3,4-trihydroxy-4-oxo-butanoyl)oxy-pentyl]-trimethyl-ammonium CAS Name: [3-carboxy-4-oxo-2-(2,3,4-trihydroxy-1,4-dioxobutoxy)pentyl]-trimethylammonium IUPAC Name: [3-carboxy-4-oxo-2-(2,3,4-trihydroxy-4-oxobutanoyl)oxypentyl]-trimethylazanium Traditional Name: [3-carboxy-4-keto-2-(2,3,4-trihydroxy-4-keto-butanoyl)oxy-pentyl]-trimethyl-ammonium Formula: C13H22NO9+ MolecularWeight: 336.31508

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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)/p+1