2-oxidanyl-2-oxidanylidene-ethanoate; 2-piperidin-1-ium-1-ylethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate

Systemtic Name: 2-oxidanyl-2-oxidanylidene-ethanoate; 2-piperidin-1-ium-1-ylethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 2-piperidin-1-ium-1-ylethyl 2-(1-naphthylmethyl)-3-tetrahydrofuran-2-yl-propanoate CAS Name: 2-hydroxy-2-oxoacetate; 2-(1-naphthalenylmethyl)-3-(2-oxolanyl)propanoic acid 2-(1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-hydroxy-2-oxoacetate; 2-piperidin-1-ium-1-ylethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate Traditional Name: 2-(1-naphthylmethyl)-3-(tetrahydrofuryl)propionic acid 2-piperidin-1-ium-1-ylethyl ester binoxalate Formula: C27H35NO7 MolecularWeight: 485.5693

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC(=O)C(CC2CCCO2)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CC[NH+](CC1)CCOC(=O)C(CC2CCCO2)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C25H33NO3.C2H2O4/c27-25(29-17-15-26-13-4-1-5-14-26)22(19-23-11-7-16-28-23)18-21-10-6-9-20-8-2-3-12-24(20)21;3-1(4)2(5)6/h2-3,6,8-10,12,22-23H,1,4-5,7,11,13-19H2;(H,3,4)(H,5,6)