Basic information
- CAS
5224-28-2- Standard SMILES
Cc1ccc(S(=O)(=O)OCCCN(CCCOS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1- InChIKey
YOEZQGFVDJHULS-UHFFFAOYSA-N- Molecular formula
- C26H31NO6S2
- Average molar mass
- 517.7 g/mol
- Monoisotopic mass
- 517.15928006
Names & identifiers
- Preferred name
- 3-[N-[3-(4-methylphenyl)sulfonyloxypropyl]anilino]propyl 4-methylbenzenesulfonate
- IUPAC
- 3-[N-[3-(4-methylphenyl)sulfonyloxypropyl]anilino]propyl 4-methylbenzenesulfonate
Names & synonyms
5224-28-2DTXSID60966618NSC120352NSC-120352(Phenylazanediyl)di(propane-3,1-diyl) bis(4-methylbenzene-1-sulfonate)
Database identifiers
- CAS
5224-28-2- PubChem CID
- 274341
- DTXSID
DTXSID60966618
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 738
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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