bis[4-(2-methylbutan-2-yl)phenyl]iodanium; (4-sulfonatooxyphenyl) sulfate

Systemtic Name: bis[4-(2-methylbutan-2-yl)phenyl]iodanium; (4-sulfonatooxyphenyl) sulfate Openeye Name: bis[4-(1,1-dimethylpropyl)phenyl]iodonium; (4-sulfonatooxyphenyl) sulfate CAS Name: bis[4-(2-methylbutan-2-yl)phenyl]iodonium; (4-sulfonatooxyphenyl) sulfate IUPAC Name: bis[4-(2-methylbutan-2-yl)phenyl]iodanium; (4-sulfonatooxyphenyl) sulfate Traditional Name: bis(4-tert-amylphenyl)iodonium; (4-sulfatophenyl) sulfate Formula: C50H64I2O8S2 MolecularWeight: 1110.9773

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)(C)CC.CCC(C)(C)C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)(C)CC.C1=CC(=CC=C1OS(=O)(=O)[O-])OS(=O)(=O)[O-]

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)(C)CC.CCC(C)(C)C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)(C)CC.C1=CC(=CC=C1OS(=O)(=O)[O-])OS(=O)(=O)[O-]

InChI

InChI=1S/2C22H30I.C6H6O8S2/c2*1-7-21(3,4)17-9-13-19(14-10-17)23-20-15-11-18(12-16-20)22(5,6)8-2;7-15(8,9)13-5-1-2-6(4-3-5)14-16(10,11)12/h2*9-16H,7-8H2,1-6H3;1-4H,(H,7,8,9)(H,10,11,12)/q2*+1;/p-2