tert-butylbenzene; (4-tert-butylphenyl)iodanium; tris(fluoranyl)methane; sulfate

Systemtic Name: tert-butylbenzene; (4-tert-butylphenyl)iodanium; tris(fluoranyl)methane; sulfate Openeye Name: tert-butylbenzene; (4-tert-butylphenyl)iodonium; fluoroform; sulfate CAS Name: tert-butylbenzene; (4-tert-butylphenyl)iodonium; fluoroform; sulfate IUPAC Name: tert-butylbenzene; (4-tert-butylphenyl)iodanium; fluoroform; sulfate Traditional Name: tert-butylbenzene; (4-tert-butylphenyl)iodonium; fluoroform; sulfate Formula: C41H57F3I2O4S MolecularWeight: 956.75803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C10H14I.2C10H14.CHF3.H2O4S/c2*1-10(2,3)8-4-6-9(11)7-5-8;2*1-10(2,3)9-7-5-4-6-8-9;2-1(3)4;1-5(2,3)4/h2*4-7,11H,1-3H3;2*4-8H,1-3H3;1H;(H2,1,2,3,4)/q2*+1;;;;/p-2