[2-[3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoyl]oxy-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium

Systemtic Name: [2-[3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoyl]oxy-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium Openeye Name: [2-(3-carboxy-3,5-dihydroxy-5-oxo-pentanoyl)oxy-4-hydroxy-4-oxo-butyl]-trimethyl-ammonium CAS Name: [2-(3-carboxy-3,5-dihydroxy-1,5-dioxopentoxy)-4-hydroxy-4-oxobutyl]-trimethylammonium IUPAC Name: [2-(3-carboxy-3,5-dihydroxy-5-oxopentanoyl)oxy-4-hydroxy-4-oxobutyl]-trimethylazanium Traditional Name: [2-(3-carboxy-3,5-dihydroxy-5-keto-pentanoyl)oxy-4-hydroxy-4-keto-butyl]-trimethyl-ammonium Formula: C13H22NO9+ MolecularWeight: 336.31508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO9/c1-14(2,3)7-8(4-9(15)16)23-11(19)6-13(22,12(20)21)5-10(17)18/h8,22H,4-7H2,1-3H3,(H2-,15,16,17,18,20,21)/p+1