bis(4-tert-butylphenyl)iodanium; pyrene-1-sulfonate

Systemtic Name: bis(4-tert-butylphenyl)iodanium; pyrene-1-sulfonate Openeye Name: bis(4-tert-butylphenyl)iodonium; pyrene-1-sulfonate CAS Name: bis(4-tert-butylphenyl)iodonium; 1-pyrenesulfonate IUPAC Name: bis(4-tert-butylphenyl)iodanium; pyrene-1-sulfonate Traditional Name: bis(4-tert-butylphenyl)iodonium; pyrene-1-sulfonate Formula: C36H35IO3S MolecularWeight: 674.63077

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26I.C16H10O3S/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;17-20(18,19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h7-14H,1-6H3;1-9H,(H,17,18,19)/q+1;/p-1