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

Systemtic Name: 1-(4-nitrophenyl)sulfonyl-4-(4-phenylcyclohexyl)piperazin-4-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 1-(4-nitrophenyl)sulfonyl-4-(4-phenylcyclohexyl)piperazin-4-ium CAS Name: 2-hydroxy-2-oxoacetate; 1-(4-nitrophenyl)sulfonyl-4-(4-phenylcyclohexyl)piperazin-4-ium IUPAC Name: 2-hydroxy-2-oxoacetate; 1-(4-nitrophenyl)sulfonyl-4-(4-phenylcyclohexyl)piperazin-4-ium Traditional Name: 1-nosyl-4-(4-phenylcyclohexyl)piperazin-4-ium binoxalate Formula: C24H29N3O8S MolecularWeight: 519.56736

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-].C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CC(CCC1C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-].C(=O)(C(=O)[O-])O

InChI

InChI=1S/C22H27N3O4S.C2H2O4/c26-25(27)21-10-12-22(13-11-21)30(28,29)24-16-14-23(15-17-24)20-8-6-19(7-9-20)18-4-2-1-3-5-18;3-1(4)2(5)6/h1-5,10-13,19-20H,6-9,14-17H2;(H,3,4)(H,5,6)