3-[3-acetyloxycarbonyl-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoyl]oxy-4-(trimethylazaniumyl)butanoate

Systemtic Name: 3-[3-acetyloxycarbonyl-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoyl]oxy-4-(trimethylazaniumyl)butanoate Openeye Name: 3-(3-acetoxycarbonyl-3,5-dihydroxy-5-oxo-pentanoyl)oxy-4-(trimethylammonio)butanoate CAS Name: 3-[3-[acetyloxy(oxo)methyl]-3,5-dihydroxy-1,5-dioxopentoxy]-4-(trimethylammonio)butanoate IUPAC Name: 3-(3-acetyloxycarbonyl-3,5-dihydroxy-5-oxopentanoyl)oxy-4-(trimethylazaniumyl)butanoate Traditional Name: 3-(3-acetoxycarbonyl-3,5-dihydroxy-5-keto-pentanoyl)oxy-4-(trimethylammonio)butyrate Formula: C15H23NO10 MolecularWeight: 377.34382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO10/c1-9(17)25-14(23)15(24,6-12(20)21)7-13(22)26-10(5-11(18)19)8-16(2,3)4/h10,24H,5-8H2,1-4H3,(H-,18,19,20,21)