bis(4-tert-butylphenyl)iodanium; 2,3,4-tri(propan-2-yl)benzenesulfonate

Systemtic Name: bis(4-tert-butylphenyl)iodanium; 2,3,4-tri(propan-2-yl)benzenesulfonate Openeye Name: bis(4-tert-butylphenyl)iodonium; 2,3,4-triisopropylbenzenesulfonate CAS Name: bis(4-tert-butylphenyl)iodonium; 2,3,4-tri(propan-2-yl)benzenesulfonate IUPAC Name: bis(4-tert-butylphenyl)iodanium; 2,3,4-tri(propan-2-yl)benzenesulfonate Traditional Name: bis(4-tert-butylphenyl)iodonium; 2,3,4-triisopropylbesylate Formula: C35H49IO3S MolecularWeight: 676.73123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C(C=C1)S(=O)(=O)[O-])C(C)C)C(C)C.CC(C)(C)C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)C1=C(C(=C(C=C1)S(=O)(=O)[O-])C(C)C)C(C)C.CC(C)(C)C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C20H26I.C15H24O3S/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-9(2)12-7-8-13(19(16,17)18)15(11(5)6)14(12)10(3)4/h7-14H,1-6H3;7-11H,1-6H3,(H,16,17,18)/q+1;/p-1