bis[4-(trifluoromethyl)phenyl]iodanium; pyrene-1-sulfonate

Systemtic Name: bis[4-(trifluoromethyl)phenyl]iodanium; pyrene-1-sulfonate Openeye Name: bis[4-(trifluoromethyl)phenyl]iodonium; pyrene-1-sulfonate CAS Name: bis[4-(trifluoromethyl)phenyl]iodonium; 1-pyrenesulfonate IUPAC Name: bis[4-(trifluoromethyl)phenyl]iodanium; pyrene-1-sulfonate Traditional Name: bis[4-(trifluoromethyl)phenyl]iodonium; pyrene-1-sulfonate Formula: C30H17F6IO3S MolecularWeight: 698.414069

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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=C1C(F)(F)F)[I+]C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)S(=O)(=O)[O-].C1=CC(=CC=C1C(F)(F)F)[I+]C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C16H10O3S.C14H8F6I/c17-20(18,19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11;15-13(16,17)9-1-5-11(6-2-9)21-12-7-3-10(4-8-12)14(18,19)20/h1-9H,(H,17,18,19);1-8H/q;+1/p-1