2-oxidanyl-2-oxidanylidene-ethanoate; 4-(2-phenylsulfanylethyl)pyridin-1-ium

Systemtic Name: 2-oxidanyl-2-oxidanylidene-ethanoate; 4-(2-phenylsulfanylethyl)pyridin-1-ium Openeye Name: 2-hydroxy-2-oxo-acetate; 4-(2-phenylsulfanylethyl)pyridin-1-ium CAS Name: 2-hydroxy-2-oxoacetate; 4-[2-(phenylthio)ethyl]pyridin-1-ium IUPAC Name: 2-hydroxy-2-oxoacetate; 4-(2-phenylsulfanylethyl)pyridin-1-ium Traditional Name: 4-[2-(phenylthio)ethyl]pyridin-1-ium binoxalate Formula: C15H15NO4S MolecularWeight: 305.3489

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC2=CC=[NH+]C=C2.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)SCCC2=CC=[NH+]C=C2.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C13H13NS.C2H2O4/c1-2-4-13(5-3-1)15-11-8-12-6-9-14-10-7-12;3-1(4)2(5)6/h1-7,9-10H,8,11H2;(H,3,4)(H,5,6)