Bis(4-tert-butylphenyl)iodanium butane-1-sulfonate
Basic information
- CAS
799269-64-0- Standard SMILES
CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.CCCCS(=O)(=O)[O-]- InChIKey
LAJARNUSVWJMRX-UHFFFAOYSA-M- Molecular formula
- C24H35IO3S
- Average molar mass
- 530.5 g/mol
- Monoisotopic mass
- 530.13516
Names & identifiers
- Preferred name
- Bis(4-tert-butylphenyl)iodanium butane-1-sulfonate
- IUPAC
- bis(4-tert-butylphenyl)iodanium;butane-1-sulfonate
Names & synonyms
799269-64-0Bis(4-tert-butylphenyl)iodanium butane-1-sulfonateSCHEMBL4899932DTXSID80823431
Database identifiers
- CAS
799269-64-0- PubChem CID
- 71402467
- DTXSID
DTXSID80823431
Properties
Computed structural properties
- Topological polar surface area
- 65.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 388
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Related reactions
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Compound notes
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