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

Systemtic Name: 1-(naphthalen-1-ylmethyl)-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 1-(1-naphthylmethyl)-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 2-hydroxy-2-oxoacetate; 1-(1-naphthalenylmethyl)-4-(2-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 2-hydroxy-2-oxoacetate; 1-(naphthalen-1-ylmethyl)-4-(2-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(1-naphthylmethyl)-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium binoxalate Formula: C23H23N3O8S MolecularWeight: 501.50902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-].C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-].C(=O)(C(=O)[O-])O

InChI

InChI=1S/C21H21N3O4S.C2H2O4/c25-24(26)20-10-3-4-11-21(20)29(27,28)23-14-12-22(13-15-23)16-18-8-5-7-17-6-1-2-9-19(17)18;3-1(4)2(5)6/h1-11H,12-16H2;(H,3,4)(H,5,6)