[5-(2-azaniumylethylsulfanylmethyl)furan-2-yl]methyl-dimethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: [5-(2-azaniumylethylsulfanylmethyl)furan-2-yl]methyl-dimethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: [5-(2-azaniumylethylsulfanylmethyl)-2-furyl]methyl-dimethyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: [5-[(2-ammonioethylthio)methyl]-2-furanyl]methyl-dimethylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: [5-(2-azaniumylethylsulfanylmethyl)furan-2-yl]methyl-dimethylazanium; 2-hydroxy-2-oxoacetate Traditional Name: [5-[(2-ammonioethylthio)methyl]-2-furyl]methyl-dimethyl-ammonium dibinoxalate Formula: C14H22N2O9S MolecularWeight: 394.39748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(O1)CSCC[NH3+].C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

Isomeric SMILES

C[NH+](C)CC1=CC=C(O1)CSCC[NH3+].C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C10H18N2OS.2C2H2O4/c1-12(2)7-9-3-4-10(13-9)8-14-6-5-11;2*3-1(4)2(5)6/h3-4H,5-8,11H2,1-2H3;2*(H,3,4)(H,5,6)