1-(furan-2-ylmethyl)-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-(furan-2-ylmethyl)-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-(2-furylmethyl)-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium; 2-hydroxy-2-oxo-acetate CAS Name: 1-(2-furanylmethyl)-4-(4-nitrophenyl)sulfonylpiperazin-1-ium; 2-hydroxy-2-oxoacetate IUPAC Name: 1-(furan-2-ylmethyl)-4-(4-nitrophenyl)sulfonylpiperazin-1-ium; 2-hydroxy-2-oxoacetate Traditional Name: 1-(2-furfuryl)-4-nosyl-piperazin-1-ium binoxalate Formula: C17H19N3O9S MolecularWeight: 441.41246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)[O-])O

InChI

InChI=1S/C15H17N3O5S.C2H2O4/c19-18(20)13-3-5-15(6-4-13)24(21,22)17-9-7-16(8-10-17)12-14-2-1-11-23-14;3-1(4)2(5)6/h1-6,11H,7-10,12H2;(H,3,4)(H,5,6)