(4-tert-butylphenyl)iodanium; octane-1-sulfonate

Systemtic Name: (4-tert-butylphenyl)iodanium; octane-1-sulfonate Openeye Name: (4-tert-butylphenyl)iodonium; octane-1-sulfonate CAS Name: (4-tert-butylphenyl)iodonium; 1-octanesulfonate IUPAC Name: (4-tert-butylphenyl)iodanium; octane-1-sulfonate Traditional Name: (4-tert-butylphenyl)iodonium; octane-1-sulfonate Formula: C18H31IO3S MolecularWeight: 454.40641

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14I.C8H18O3S/c1-10(2,3)8-4-6-9(11)7-5-8;1-2-3-4-5-6-7-8-12(9,10)11/h4-7,11H,1-3H3;2-8H2,1H3,(H,9,10,11)/q+1;/p-1