[3-[(4-Methylphenyl)sulfonyloxymethyl]oxetan-3-yl]methyl 4-methylbenzenesulfonate

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Basic information

CAS: 6125-25-3
Standard SMILES: Cc1ccc(S(=O)(=O)OCC2(COS(=O)(=O)c3ccc(C)cc3)COC2)cc1
InChIKey: FWEWBDURCVAGCV-UHFFFAOYSA-N
Molecular formula: C19H22O7S2
Average molar mass: 426.5 g/mol
Monoisotopic mass: 426.08069538

Names & identifiers

Preferred name: [3-[(4-Methylphenyl)sulfonyloxymethyl]oxetan-3-yl]methyl 4-methylbenzenesulfonate
IUPAC: [3-[(4-methylphenyl)sulfonyloxymethyl]oxetan-3-yl]methyl 4-methylbenzenesulfonate

Names & synonyms

6125-25-3NSC 281664[3-[(4-methylphenyl)sulfonyloxymethyl]oxetan-3-yl]methyl 4-methylbenzenesulfonateNSC2816643,3-bis[(4-methylphenyl)sulfonyloxymethyl]oxetaneSCHEMBL690833DTXSID20314237Oxetane-3,3-diylbis(methylene) bis(4-methylbenzenesulfonate)NSC-281664DS-004618(Oxetane-3,3-diyl)bis(methylene) bis(4-methylbenzene-1-sulfonate)

Database identifiers

CAS: 6125-25-3
PubChem CID: 322967
DTXSID: DTXSID20314237

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 113 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 28
Formal charge: 0
Complexity: 642

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Compound notes

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