2,6-dimethoxy-4-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 2,6-dimethoxy-4-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2,6-dimethoxy-4-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol; 2-hydroxy-2-oxo-acetate CAS Name: 2,6-dimethoxy-4-[[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]phenol; 2-hydroxy-2-oxoacetate IUPAC Name: 2,6-dimethoxy-4-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol; 2-hydroxy-2-oxoacetate Traditional Name: 2,6-dimethoxy-4-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol binoxalate Formula: C21H25N3O11S MolecularWeight: 527.5017

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)[O-])O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)[O-])O

InChI

InChI=1S/C19H23N3O7S.C2H2O4/c1-28-16-11-14(12-17(29-2)19(16)23)13-20-7-9-21(10-8-20)30(26,27)18-6-4-3-5-15(18)22(24)25;3-1(4)2(5)6/h3-6,11-12,23H,7-10,13H2,1-2H3;(H,3,4)(H,5,6)