(4-nitrophenyl)-phenyl-iodanium; pyrene-1-sulfonate

Systemtic Name: (4-nitrophenyl)-phenyl-iodanium; pyrene-1-sulfonate Openeye Name: (4-nitrophenyl)-phenyl-iodonium; pyrene-1-sulfonate CAS Name: (4-nitrophenyl)-phenyliodonium; 1-pyrenesulfonate IUPAC Name: (4-nitrophenyl)-phenyliodanium; pyrene-1-sulfonate Traditional Name: (4-nitrophenyl)-phenyl-iodonium; pyrene-1-sulfonate Formula: C28H18INO5S MolecularWeight: 607.41569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10O3S.C12H9INO2/c17-20(18,19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11;15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9H,(H,17,18,19);1-9H/q;+1/p-1