1-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-oxidanylidene-2-pyridin-4-yl-ethanesulfonate

Systemtic Name: 1-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-oxidanylidene-2-pyridin-4-yl-ethanesulfonate Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-oxo-2-(4-pyridyl)ethanesulfonate CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-oxo-2-pyridin-4-ylethanesulfonate IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-oxo-2-pyridin-4-ylethanesulfonate Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-keto-2-(4-pyridyl)ethanesulfonate Formula: C13H9N2O8S- MolecularWeight: 353.28416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C(=O)C(C2=CC(=C(C(=C2)O)O)[N+](=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

C1=CN=CC=C1C(=O)C(C2=CC(=C(C(=C2)O)O)[N+](=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C13H10N2O8S/c16-10-6-8(5-9(12(10)18)15(19)20)13(24(21,22)23)11(17)7-1-3-14-4-2-7/h1-6,13,16,18H,(H,21,22,23)/p-1