(3-oxidanylidene-1$l^{3},2-benziodoxol-1-yl) 4-nitrobenzenesulfonate

Systemtic Name: (3-oxidanylidene-1$l^{3},2-benziodoxol-1-yl) 4-nitrobenzenesulfonate Openeye Name: (3-oxo-1$l^{3},2-benziodoxol-1-yl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (3-oxo-1$l^{3},2-benziodoxol-1-yl) ester IUPAC Name: (3-oxo-1$l^{3},2-benziodoxol-1-yl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (3-keto-1$l^{3},2-benziodoxol-1-yl) ester Formula: C13H8INO7S MolecularWeight: 449.17459

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OI2OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OI2OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H8INO7S/c16-13-11-3-1-2-4-12(11)14(21-13)22-23(19,20)10-7-5-9(6-8-10)15(17)18/h1-8H