3-nitro-4-(5-oxidanyl-3,4-dihydro-2H-pyrrol-1-ium-1-yl)benzenesulfonate

Systemtic Name: 3-nitro-4-(5-oxidanyl-3,4-dihydro-2H-pyrrol-1-ium-1-yl)benzenesulfonate Openeye Name: 4-(5-hydroxy-3,4-dihydro-2H-pyrrol-1-ium-1-yl)-3-nitro-benzenesulfonate CAS Name: 4-(5-hydroxy-3,4-dihydro-2H-pyrrol-1-ium-1-yl)-3-nitrobenzenesulfonate IUPAC Name: 4-(5-hydroxy-3,4-dihydro-2H-pyrrol-1-ium-1-yl)-3-nitrobenzenesulfonate Traditional Name: 4-(2-hydroxy-1-pyrrolin-1-ium-1-yl)-3-nitro-besylate Formula: C10H10N2O6S MolecularWeight: 286.2612

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[N+](C1)C2=C(C=C(C=C2)S(=O)(=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

C1CC(=[N+](C1)C2=C(C=C(C=C2)S(=O)(=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C10H10N2O6S/c13-10-2-1-5-11(10)8-4-3-7(19(16,17)18)6-9(8)12(14)15/h3-4,6H,1-2,5H2,(H,16,17,18)