5-methyl-3-oxidanylidene-2-[1-[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]oxy-2-(trimethylazaniumyl)ethyl]hexanoate

Systemtic Name: 5-methyl-3-oxidanylidene-2-[1-[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]oxy-2-(trimethylazaniumyl)ethyl]hexanoate Openeye Name: 2-[1-[(E)-4-hydroxy-4-oxo-but-2-enoyl]oxy-2-(trimethylammonio)ethyl]-5-methyl-3-oxo-hexanoate CAS Name: 2-[1-[(E)-4-hydroxy-1,4-dioxobut-2-enoxy]-2-(trimethylammonio)ethyl]-5-methyl-3-oxohexanoate IUPAC Name: 2-[1-[(E)-4-hydroxy-4-oxobut-2-enoyl]oxy-2-(trimethylazaniumyl)ethyl]-5-methyl-3-oxohexanoate Traditional Name: 2-[1-[(E)-4-hydroxy-4-keto-but-2-enoyl]oxy-2-(trimethylammonio)ethyl]-3-keto-5-methyl-hexanoate Formula: C16H25NO7 MolecularWeight: 343.3722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO7/c1-10(2)8-11(18)15(16(22)23)12(9-17(3,4)5)24-14(21)7-6-13(19)20/h6-7,10,12,15H,8-9H2,1-5H3,(H-,19,20,22,23)/b7-6+