2-(2,2-dimethyl-6-pentyl-chromen-7-yl)oxyethyl-dimethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 2-(2,2-dimethyl-6-pentyl-chromen-7-yl)oxyethyl-dimethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-(2,2-dimethyl-6-pentyl-chromen-7-yl)oxyethyl-dimethyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 2-[(2,2-dimethyl-6-pentyl-1-benzopyran-7-yl)oxy]ethyl-dimethylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 2-(2,2-dimethyl-6-pentylchromen-7-yl)oxyethyl-dimethylazanium; 2-hydroxy-2-oxoacetate Traditional Name: 2-(6-amyl-2,2-dimethyl-chromen-7-yl)oxyethyl-dimethyl-ammonium binoxalate Formula: C22H33NO6 MolecularWeight: 407.50052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C2C(=C1)C=CC(O2)(C)C)OCC[NH+](C)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCCCCC1=C(C=C2C(=C1)C=CC(O2)(C)C)OCC[NH+](C)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C20H31NO2.C2H2O4/c1-6-7-8-9-16-14-17-10-11-20(2,3)23-19(17)15-18(16)22-13-12-21(4)5;3-1(4)2(5)6/h10-11,14-15H,6-9,12-13H2,1-5H3;(H,3,4)(H,5,6)