iodanylbenzene; (4-nitrophenyl) benzenesulfonate

Systemtic Name: iodanylbenzene; (4-nitrophenyl) benzenesulfonate Openeye Name: iodobenzene; (4-nitrophenyl) benzenesulfonate CAS Name: benzenesulfonic acid (4-nitrophenyl) ester; iodobenzene IUPAC Name: iodobenzene; (4-nitrophenyl) benzenesulfonate Traditional Name: benzenesulfonic acid (4-nitrophenyl) ester; iodobenzene Formula: C18H14INO5S MolecularWeight: 483.27693

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-].C1=CC=C(C=C1)I

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-].C1=CC=C(C=C1)I

InChI

InChI=1S/C12H9NO5S.C6H5I/c14-13(15)10-6-8-11(9-7-10)18-19(16,17)12-4-2-1-3-5-12;7-6-4-2-1-3-5-6/h1-9H;1-5H