tert-butylbenzene; (4-tert-butylphenyl)iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: tert-butylbenzene; (4-tert-butylphenyl)iodanium; tris(fluoranyl)methanesulfonate Openeye Name: tert-butylbenzene; (4-tert-butylphenyl)iodonium; trifluoromethanesulfonate CAS Name: tert-butylbenzene; (4-tert-butylphenyl)iodonium; trifluoromethanesulfonate IUPAC Name: tert-butylbenzene; (4-tert-butylphenyl)iodanium; trifluoromethanesulfonate Traditional Name: tert-butylbenzene; (4-tert-butylphenyl)iodonium; triflate Formula: C21H28F3IO3S MolecularWeight: 544.4099

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1.CC(C)(C)C1=CC=C(C=C1)[IH+].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1.CC(C)(C)C1=CC=C(C=C1)[IH+].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C10H14I.C10H14.CHF3O3S/c1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)9-7-5-4-6-8-9;2-1(3,4)8(5,6)7/h4-7,11H,1-3H3;4-8H,1-3H3;(H,5,6,7)/q+1;;/p-1