[(3R)-8-(2,6-dimethoxyphenyl)-3,4-dihydro-2H-chromen-3-yl]-dimethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: [(3R)-8-(2,6-dimethoxyphenyl)-3,4-dihydro-2H-chromen-3-yl]-dimethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: [(3R)-8-(2,6-dimethoxyphenyl)chroman-3-yl]-dimethyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: [(3R)-8-(2,6-dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl]-dimethylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: [(3R)-8-(2,6-dimethoxyphenyl)-3,4-dihydro-2H-chromen-3-yl]-dimethylazanium; 2-hydroxy-2-oxoacetate Traditional Name: [(3R)-8-(2,6-dimethoxyphenyl)chroman-3-yl]-dimethyl-ammonium binoxalate Formula: C21H25NO7 MolecularWeight: 403.4257

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1CC2=CC=CC(=C2OC1)C3=C(C=CC=C3OC)OC.C(=O)(C(=O)[O-])O

Isomeric SMILES

C[NH+](C)[C@@H]1CC2=CC=CC(=C2OC1)C3=C(C=CC=C3OC)OC.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C19H23NO3.C2H2O4/c1-20(2)14-11-13-7-5-8-15(19(13)23-12-14)18-16(21-3)9-6-10-17(18)22-4;3-1(4)2(5)6/h5-10,14H,11-12H2,1-4H3;(H,3,4)(H,5,6)/t14-;/m1./s1