Cyclobutane-1,1,2,2-tetrayltetramethanediyl tetrakis(4-methylbenzenesulfonate)
Basic information
- CAS
14276-05-2- Standard SMILES
Cc1ccc(S(=O)(=O)OCC2(COS(=O)(=O)c3ccc(C)cc3)CCC2(COS(=O)(=O)c2ccc(C)cc2)COS(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
ORMLKQIDPBJZKI-UHFFFAOYSA-N- Molecular formula
- C36H40O12S4
- Average molar mass
- 793 g/mol
- Monoisotopic mass
- 792.1402614
Names & identifiers
- Preferred name
- Cyclobutane-1,1,2,2-tetrayltetramethanediyl tetrakis(4-methylbenzenesulfonate)
- IUPAC
- [1,2,2-tris[(4-methylphenyl)sulfonyloxymethyl]cyclobutyl]methyl 4-methylbenzenesulfonate
Names & synonyms
14276-05-2cyclobutane-1,1,2,2-tetrayltetramethanediyl tetrakis(4-methylbenzenesulfonate)NSC148990DTXSID10302143NSC-148990(Cyclobutane-1,1,2,2-tetrayl)tetrakis(methylene) tetrakis(4-methylbenzene-1-sulfonate)
Database identifiers
- CAS
14276-05-2- PubChem CID
- 288246
- DTXSID
DTXSID10302143
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 207 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 16
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,350
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Compound notes
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