bis(3-nitrophenyl)iodanium; pyrene-1-sulfonate

Systemtic Name: bis(3-nitrophenyl)iodanium; pyrene-1-sulfonate Openeye Name: bis(3-nitrophenyl)iodonium; pyrene-1-sulfonate CAS Name: bis(3-nitrophenyl)iodonium; 1-pyrenesulfonate IUPAC Name: bis(3-nitrophenyl)iodanium; pyrene-1-sulfonate Traditional Name: bis(3-nitrophenyl)iodonium; pyrene-1-sulfonate Formula: C28H17IN2O7S MolecularWeight: 652.41325

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10O3S.C12H8IN2O4/c17-20(18,19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11;16-14(17)11-5-1-3-9(7-11)13-10-4-2-6-12(8-10)15(18)19/h1-9H,(H,17,18,19);1-8H/q;+1/p-1