2-oxidanyl-2-oxidanylidene-ethanoate; 4-(2-phenylsulfanylethyl)morpholin-4-ium

Systemtic Name: 2-oxidanyl-2-oxidanylidene-ethanoate; 4-(2-phenylsulfanylethyl)morpholin-4-ium Openeye Name: 2-hydroxy-2-oxo-acetate; 4-(2-phenylsulfanylethyl)morpholin-4-ium CAS Name: 2-hydroxy-2-oxoacetate; 4-[2-(phenylthio)ethyl]morpholin-4-ium IUPAC Name: 2-hydroxy-2-oxoacetate; 4-(2-phenylsulfanylethyl)morpholin-4-ium Traditional Name: 4-[2-(phenylthio)ethyl]morpholin-4-ium binoxalate Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCSC2=CC=CC=C2.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1COCC[NH+]1CCSC2=CC=CC=C2.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C12H17NOS.C2H2O4/c1-2-4-12(5-3-1)15-11-8-13-6-9-14-10-7-13;3-1(4)2(5)6/h1-5H,6-11H2;(H,3,4)(H,5,6)