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

Systemtic Name: 2-oxidanyl-2-oxidanylidene-ethanoate; 2-pyrrolidin-1-ium-1-ylethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 2-pyrrolidin-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-pyrrolidin-1-iumyl)ethyl ester IUPAC Name: 2-hydroxy-2-oxoacetate; 2-pyrrolidin-1-ium-1-ylethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate Traditional Name: 2-(1-naphthylmethyl)-3-(tetrahydrofuryl)propionic acid 2-pyrrolidin-1-ium-1-ylethyl ester binoxalate Formula: C26H33NO7 MolecularWeight: 471.54272

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC(=O)C(CC2CCCO2)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CC[NH+](C1)CCOC(=O)C(CC2CCCO2)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C24H31NO3.C2H2O4/c26-24(28-16-14-25-12-3-4-13-25)21(18-22-10-6-15-27-22)17-20-9-5-8-19-7-1-2-11-23(19)20;3-1(4)2(5)6/h1-2,5,7-9,11,21-22H,3-4,6,10,12-18H2;(H,3,4)(H,5,6)