1-(2,3-dihydro-1H-inden-2-yl)-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-(2,3-dihydro-1H-inden-2-yl)-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 1-indan-2-yl-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(2,3-dihydro-1H-inden-2-yl)-4-(4-nitrophenyl)sulfonylpiperazin-1-ium; 2-hydroxy-2-oxoacetate IUPAC Name: 1-(2,3-dihydro-1H-inden-2-yl)-4-(4-nitrophenyl)sulfonylpiperazin-1-ium; 2-hydroxy-2-oxoacetate Traditional Name: 1-indan-2-yl-4-nosyl-piperazin-1-ium binoxalate Formula: C21H23N3O8S MolecularWeight: 477.48762

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC3=CC=CC=C3C2)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-].C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CN(CC[NH+]1C2CC3=CC=CC=C3C2)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-].C(=O)(C(=O)[O-])O

InChI

InChI=1S/C19H21N3O4S.C2H2O4/c23-22(24)17-5-7-19(8-6-17)27(25,26)21-11-9-20(10-12-21)18-13-15-3-1-2-4-16(15)14-18;3-1(4)2(5)6/h1-8,18H,9-14H2;(H,3,4)(H,5,6)