ethane; ethyl N-[2-(propoxymethyl)phenyl]carbamate; 1-methylpyrrolidin-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: ethane; ethyl N-[2-(propoxymethyl)phenyl]carbamate; 1-methylpyrrolidin-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: ethane; ethyl N-[2-(propoxymethyl)phenyl]carbamate; 2-hydroxy-2-oxo-acetate; 1-methylpyrrolidin-1-ium CAS Name: ethane; 2-hydroxy-2-oxoacetate; 1-methylpyrrolidin-1-ium; N-[2-(propoxymethyl)phenyl]carbamic acid ethyl ester IUPAC Name: ethane; ethyl N-[2-(propoxymethyl)phenyl]carbamate; 2-hydroxy-2-oxoacetate; 1-methylpyrrolidin-1-ium Traditional Name: ethane; 1-methylpyrrolidin-1-ium; N-[2-(propoxymethyl)phenyl]carbamic acid ethyl ester; binoxalate Formula: C22H38N2O7 MolecularWeight: 442.54632

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Descriptors Computed from Structure

Canonical SMILES:

CC.CCCOCC1=CC=CC=C1NC(=O)OCC.C[NH+]1CCCC1.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC.CCCOCC1=CC=CC=C1NC(=O)OCC.C[NH+]1CCCC1.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C13H19NO3.C5H11N.C2H2O4.C2H6/c1-3-9-16-10-11-7-5-6-8-12(11)14-13(15)17-4-2;1-6-4-2-3-5-6;3-1(4)2(5)6;1-2/h5-8H,3-4,9-10H2,1-2H3,(H,14,15);2-5H2,1H3;(H,3,4)(H,5,6);1-2H3