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Chemistry

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Also known as: 137309-88-7, 2-(2-methoxyphenoxy)ethyl-4-methylbenzensulfonate, 2-(2-methoxyphenoxy)ethyl 4-methylbenzenesulfonate, Guaiacol ethyltosylate ether, 1631416b52, Ethanol, 2-(2-methoxyphenoxy)-, 1-(4-methylbenzenesulfonate)
Molecular Formula
C16H18O5S
Molecular Weight
322.4  g/mol
InChI Key
JJYACKVCWURYDT-UHFFFAOYSA-N
FDA UNII
1631416B52

137309-88-7
1 2D Structure

137309-88-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(2-methoxyphenoxy)ethyl 4-methylbenzenesulfonate
2.1.2 InChI
InChI=1S/C16H18O5S/c1-13-7-9-14(10-8-13)22(17,18)21-12-11-20-16-6-4-3-5-15(16)19-2/h3-10H,11-12H2,1-2H3
2.1.3 InChI Key
JJYACKVCWURYDT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=CC=CC=C2OC
2.2 Other Identifiers
2.2.1 UNII
1631416B52
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 137309-88-7

2. 2-(2-methoxyphenoxy)ethyl-4-methylbenzensulfonate

3. 2-(2-methoxyphenoxy)ethyl 4-methylbenzenesulfonate

4. Guaiacol Ethyltosylate Ether

5. 1631416b52

6. Ethanol, 2-(2-methoxyphenoxy)-, 1-(4-methylbenzenesulfonate)

7. Schembl9369968

8. Dtxsid101184959

9. Unii-1631416b52

10. Zinc26893932

11. Db-042388

12. Ft-0643265

13. 1-tosyloxy-2-(2-methoxyphenoxy)ethane

14. 309m887

15. Q27251766

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 322.4 g/mol
Molecular Formula C16H18O5S
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass322.08749484 g/mol
Monoisotopic Mass322.08749484 g/mol
Topological Polar Surface Area70.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity409
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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