4-[2-(2-methylpropylsulfanyl)ethyl]pyridin-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 4-[2-(2-methylpropylsulfanyl)ethyl]pyridin-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 4-(2-isobutylsulfanylethyl)pyridin-1-ium CAS Name: 2-hydroxy-2-oxoacetate; 4-[2-(2-methylpropylthio)ethyl]pyridin-1-ium IUPAC Name: 2-hydroxy-2-oxoacetate; 4-[2-(2-methylpropylsulfanyl)ethyl]pyridin-1-ium Traditional Name: 4-[2-(isobutylthio)ethyl]pyridin-1-ium binoxalate Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSCCC1=CC=[NH+]C=C1.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC(C)CSCCC1=CC=[NH+]C=C1.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C11H17NS.C2H2O4/c1-10(2)9-13-8-5-11-3-6-12-7-4-11;3-1(4)2(5)6/h3-4,6-7,10H,5,8-9H2,1-2H3;(H,3,4)(H,5,6)