2-oxidanyl-2-oxidanylidene-ethanoate; 7-pyrrolidin-1-ium-1-ylhept-5-yn-2-one

Systemtic Name: 2-oxidanyl-2-oxidanylidene-ethanoate; 7-pyrrolidin-1-ium-1-ylhept-5-yn-2-one Openeye Name: 2-hydroxy-2-oxo-acetate; 7-pyrrolidin-1-ium-1-ylhept-5-yn-2-one CAS Name: 2-hydroxy-2-oxoacetate; 7-(1-pyrrolidin-1-iumyl)-5-heptyn-2-one IUPAC Name: 2-hydroxy-2-oxoacetate; 7-pyrrolidin-1-ium-1-ylhept-5-yn-2-one Traditional Name: 7-pyrrolidin-1-ium-1-ylhept-5-yn-2-one binoxalate Formula: C13H19NO5 MolecularWeight: 269.29366

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC#CC[NH+]1CCCC1.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC(=O)CCC#CC[NH+]1CCCC1.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C11H17NO.C2H2O4/c1-11(13)7-3-2-4-8-12-9-5-6-10-12;3-1(4)2(5)6/h3,5-10H2,1H3;(H,3,4)(H,5,6)