bis(4-tert-butylphenyl)iodanium; propane-1-sulfonate

Systemtic Name: bis(4-tert-butylphenyl)iodanium; propane-1-sulfonate Openeye Name: bis(4-tert-butylphenyl)iodonium; propane-1-sulfonate CAS Name: bis(4-tert-butylphenyl)iodonium; 1-propanesulfonate IUPAC Name: bis(4-tert-butylphenyl)iodanium; propane-1-sulfonate Traditional Name: bis(4-tert-butylphenyl)iodonium; propane-1-sulfonate Formula: C23H33IO3S MolecularWeight: 516.47579

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26I.C3H8O3S/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-2-3-7(4,5)6/h7-14H,1-6H3;2-3H2,1H3,(H,4,5,6)/q+1;/p-1