Diphenylphosphoric toluene-4-sulfonic anhydride
Basic information
- CAS
95667-04-2- Standard SMILES
Cc1ccc(S(=O)(=O)OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1- InChIKey
LCYHSTVGKVUEKJ-UHFFFAOYSA-N- Molecular formula
- C19H17O6PS
- Average molar mass
- 404.4 g/mol
- Monoisotopic mass
- 404.04834643
Overview
structure given in first source
Names & identifiers
- Preferred name
- Diphenylphosphoric toluene-4-sulfonic anhydride
- IUPAC
- diphenoxyphosphoryl 4-methylbenzenesulfonate
- English name
- diphenylphosphoric toluene-4-sulfonic anhydride
- Molecular formula
- C19H17O6PS
- Molecular weight
- 404.373441
Names & synonyms
DpptsaDiphenylphosphoric toluene-4-sulfonic anhydride95667-04-2DTXSID90241920Benzenesulfonic acid, 4-methyl-, (SP-5-21)-RefChem:134697DTXCID20164411diphenoxyphosphoryl 4-methylbenzenesulfonateSCHEMBL8673256[(4-Methylbenzene-1-sulfonyl)oxy](oxo)di(phenoxy)-lambda~5~-phosphanediphenylphosphato-p-toluenesulfonate
Database identifiers
- CAS
95667-04-2- PubChem CID
- 125693
- DTXSID
DTXSID90241920
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 572
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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