1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-ethoxyethyl 4-methylbenzenesulfonate

2.1.2 InChI

InChI=1S/C11H16O4S/c1-3-14-8-9-15-16(12,13)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3

2.1.3 InChI Key

HXXNTEDKEYTYPD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOCCOS(=O)(=O)C1=CC=C(C=C1)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 17178-11-9

2. 2-ethoxyethyl P-toluenesulfonate

3. P-toluenesulfonic-acid-(2-ethoxyethyl)-ester

4. 2-ethoxyethylp-toluenesulfonate

5. Schembl244712

6. Dtxsid10399598

7. (2-ethoxy)ethyl P-toluenesulphonate

8. Zinc2170903

9. 2-ethoxyethyl4-methylbenzenesulfonate

10. Akos005111037

11. 2-ethoxyethyl 4-methylbenzene-1-sulfonate

12. P-toluenesulfonic Acid 2-ethoxyethyl Ester

13. Bb 0254645

14. Cs-0257595

2.3 Create Date

2005-09-13

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₆O₄S
Molecular Weight	244.31 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	244.07693016 g/mol
Monoisotopic Mass	244.07693016 g/mol
Topological Polar Surface Area	61 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	273
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 17178-11-9