4-[2-[2,5-bis(chloranyl)phenyl]sulfanylethyl]pyridin-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 4-[2-[2,5-bis(chloranyl)phenyl]sulfanylethyl]pyridin-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 4-[2-(2,5-dichlorophenyl)sulfanylethyl]pyridin-1-ium; 2-hydroxy-2-oxo-acetate CAS Name: 4-[2-[(2,5-dichlorophenyl)thio]ethyl]pyridin-1-ium; 2-hydroxy-2-oxoacetate IUPAC Name: 4-[2-(2,5-dichlorophenyl)sulfanylethyl]pyridin-1-ium; 2-hydroxy-2-oxoacetate Traditional Name: 4-[2-[(2,5-dichlorophenyl)thio]ethyl]pyridin-1-ium binoxalate Formula: C15H13Cl2NO4S MolecularWeight: 374.23902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)SCCC2=CC=[NH+]C=C2)Cl.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1Cl)SCCC2=CC=[NH+]C=C2)Cl.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C13H11Cl2NS.C2H2O4/c14-11-1-2-12(15)13(9-11)17-8-5-10-3-6-16-7-4-10;3-1(4)2(5)6/h1-4,6-7,9H,5,8H2;(H,3,4)(H,5,6)