chempirical

2,2′-Oxybis(ethyl tosylate)

C18H22O7S2CAS 7460-82-4414.49 g/mol

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EtherSulfonate ester

Properties

Molecular formula
C18H22O7S2
Molar mass
414.49 g/mol
Exact mass
414.0807 Da
Melting point
87–89 °C
logP
2.43Crippen estimate
Polar surface area
96.0 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
10

Identifiers

CAS number
7460-82-4
SMILES
Cc1ccc(S(=O)(=O)OCCOCCOS(=O)(=O)c2ccc(C)cc2)cc1
InChIKey
VYVPNTJBGPQTFA-UHFFFAOYSA-N
InChI
InChI=1S/C18H22O7S2/c1-15-3-7-17(8-4-15)26(19,20)24-13-11-23-12-14-25-27(21,22)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3

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Names and synonyms

19 names · show all
  • Ethanol, 2,2′-oxybis-, 1,1′-bis(4-methylbenzenesulfonate)
  • Ethanol, 2,2′-oxybis-, bis(4-methylbenzenesulfonate)
  • Diethylene glycol di-p-toluenesulfonate
  • Diethylene glycol ditosylate
  • Bis[β-(4-toluenesulfonyloxy)ethyl] ether
  • 3-Oxapentane-1,5-diol ditosylate
  • Bis(2-tosyloxyethyl) ether
  • Diethylene glycol bis(4-toluenesulfonate)
  • 3-Oxa-1,5-pentanediyl bis(p-toluenesulfonate)
  • 1,5-Bis(p-tolylsulfonyloxy)-3-oxapentane
  • 1,5-Bis(tosyloxy)-3-oxapentane
  • Diethylene glycol di-p-tosylate
  • Diethylene glycol bis(p-toluenesulfonate)
  • Diethylene glycol bis(p-tosylate)
  • 2,2′-Oxybisethanol bis(4-methylbenzenesulfonate)
  • Di(2-tosyloxyethyl) ether
  • NSC 404215
  • 2-[2-(4-Methylphenyl)sulfonyloxyethoxy]ethyl 4-methylphenylsulfonate
  • 2-[2-(4-Methylphenyl)sulfonyloxyethoxy]ethyl 4-methylbenzenesulfonate

Work with 2,2′-Oxybis(ethyl tosylate)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Triethylene glycol ditosylate19249-03-7100 % similar Ethylene glycol ditosylate6315-52-289 % similar 1,3-Propanediol ditosylate5469-66-977 % similar Benzyl-PEG5-ots129086-10-875 % similar 2-Methoxyethyl P-toluenesulfonate17178-10-875 % similar Propyl 4-methylbenzenesulfonate599-91-772 % similar 2-Chloroethyl P-toluenesulfonate80-41-170 % similar Butyl P-toluenesulfonate778-28-968 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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