2-(3H-benzimidazol-1-ium-1-yl)ethyl 4-nitrobenzenesulfonate; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl 4-nitrobenzenesulfonate; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl 4-nitrobenzenesulfonate; 2-hydroxy-2-oxo-acetate CAS Name: 2-hydroxy-2-oxoacetate; 4-nitrobenzenesulfonic acid 2-(3H-benzimidazol-1-ium-1-yl)ethyl ester IUPAC Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl 4-nitrobenzenesulfonate; 2-hydroxy-2-oxoacetate Traditional Name: 4-nitrobenzenesulfonic acid 2-(3H-benzimidazol-1-ium-1-yl)ethyl ester binoxalate Formula: C17H15N3O9S MolecularWeight: 437.3807

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC=[N+]2CCOS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)NC=[N+]2CCOS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)[O-])O

InChI

InChI=1S/C15H13N3O5S.C2H2O4/c19-18(20)12-5-7-13(8-6-12)24(21,22)23-10-9-17-11-16-14-3-1-2-4-15(14)17;3-1(4)2(5)6/h1-8,11H,9-10H2;(H,3,4)(H,5,6)