iodanylbenzene; (4-nitrophenyl) pyrene-1-sulfonate

Systemtic Name: iodanylbenzene; (4-nitrophenyl) pyrene-1-sulfonate Openeye Name: iodobenzene; (4-nitrophenyl) pyrene-1-sulfonate CAS Name: iodobenzene; 1-pyrenesulfonic acid (4-nitrophenyl) ester IUPAC Name: iodobenzene; (4-nitrophenyl) pyrene-1-sulfonate Traditional Name: iodobenzene; pyrene-1-sulfonic acid (4-nitrophenyl) ester Formula: C28H18INO5S MolecularWeight: 607.41569

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)I.C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)S(=O)(=O)OC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)I.C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)S(=O)(=O)OC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H13NO5S.C6H5I/c24-23(25)17-8-10-18(11-9-17)28-29(26,27)20-13-7-16-5-4-14-2-1-3-15-6-12-19(20)22(16)21(14)15;7-6-4-2-1-3-5-6/h1-13H;1-5H