About 2-(4-fluoro-2,3,5,6-tetramethylphenoxy)ethanesulfonate;2-(3-hydroxy-2-methylphenoxy)-2-oxoethanesulfonate;2-(2,3,4,5,6-pentamethylphenoxy)ethanesulfonate;3,3,3-trifluoro-2-(4-fluoro-2,3,5,6-tetramethylphenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-(2,3,4,5,6-pentamethylphenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-trimethylphenoxy)carbonylbicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-trimethylphenoxy)carbonylbicyclo[2.2.2]octane-2-carbonyl]oxypropane-1-sulfonate;2-(2,4,5-trimethylphenoxy)ethanesulfonate
2-(4-fluoro-2,3,5,6-tetramethylphenoxy)ethanesulfonate;2-(3-hydroxy-2-methylphenoxy)-2-oxoethanesulfonate;2-(2,3,4,5,6-pentamethylphenoxy)ethanesulfonate;3,3,3-trifluoro-2-(4-fluoro-2,3,5,6-tetramethylphenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-(2,3,4,5,6-pentamethylphenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-trimethylphenoxy)carbonylbicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-trimethylphenoxy)carbonylbicyclo[2.2.2]octane-2-carbonyl]oxypropane-1-sulfonate;2-(2,4,5-trimethylphenoxy)ethanesulfonate (PubChem CID 160697275) has the molecular formula C115H142F14O40S8-8
and a molecular weight of 2686.87 g/mol. Its IUPAC name is 2-(4-fluoro-2,3,5,6-tetramethylphenoxy)ethanesulfonate;2-(3-hydroxy-2-methylphenoxy)-2-oxoethanesulfonate;2-(2,3,4,5,6-pentamethylphenoxy)ethanesulfonate;3,3,3-trifluoro-2-(4-fluoro-2,3,5,6-tetramethylphenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-(2,3,4,5,6-pentamethylphenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-trimethylphenoxy)carbonylbicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-trimethylphenoxy)carbonylbicyclo[2.2.2]octane-2-carbonyl]oxypropane-1-sulfonate;2-(2,4,5-trimethylphenoxy)ethanesulfonate.
Frequently Asked Questions
What is the IUPAC name of 2-(4-fluoro-2,3,5,6-tetramethylphenoxy)ethanesulfonate;2-(3-hydroxy-2-methylphenoxy)-2-oxoethanesulfonate;2-(2,3,4,5,6-pentamethylphenoxy)ethanesulfonate;3,3,3-trifluoro-2-(4-fluoro-2,3,5,6-tetramethylphenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-(2,3,4,5,6-pentamethylphenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-trimethylphenoxy)carbonylbicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-trimethylphenoxy)carbonylbicyclo[2.2.2]octane-2-carbonyl]oxypropane-1-sulfonate;2-(2,4,5-trimethylphenoxy)ethanesulfonate?
The IUPAC name of 2-(4-fluoro-2,3,5,6-tetramethylphenoxy)ethanesulfonate;2-(3-hydroxy-2-methylphenoxy)-2-oxoethanesulfonate;2-(2,3,4,5,6-pentamethylphenoxy)ethanesulfonate;3,3,3-trifluoro-2-(4-fluoro-2,3,5,6-tetramethylphenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-(2,3,4,5,6-pentamethylphenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-trimethylphenoxy)carbonylbicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-trimethylphenoxy)carbonylbicyclo[2.2.2]octane-2-carbonyl]oxypropane-1-sulfonate;2-(2,4,5-trimethylphenoxy)ethanesulfonate (CID 160697275) is 2-(4-fluoro-2,3,5,6-tetramethylphenoxy)ethanesulfonate;2-(3-hydroxy-2-methylphenoxy)-2-oxoethanesulfonate;2-(2,3,4,5,6-pentamethylphenoxy)ethanesulfonate;3,3,3-trifluoro-2-(4-fluoro-2,3,5,6-tetramethylphenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-(2,3,4,5,6-pentamethylphenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-trimethylphenoxy)carbonylbicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-trimethylphenoxy)carbonylbicyclo[2.2.2]octane-2-carbonyl]oxypropane-1-sulfonate;2-(2,4,5-trimethylphenoxy)ethanesulfonate.
What is the SMILES notation for 2-(4-fluoro-2,3,5,6-tetramethylphenoxy)ethanesulfonate;2-(3-hydroxy-2-methylphenoxy)-2-oxoethanesulfonate;2-(2,3,4,5,6-pentamethylphenoxy)ethanesulfonate;3,3,3-trifluoro-2-(4-fluoro-2,3,5,6-tetramethylphenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-(2,3,4,5,6-pentamethylphenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-trimethylphenoxy)carbonylbicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-trimethylphenoxy)carbonylbicyclo[2.2.2]octane-2-carbonyl]oxypropane-1-sulfonate;2-(2,4,5-trimethylphenoxy)ethanesulfonate?
The canonical SMILES for 2-(4-fluoro-2,3,5,6-tetramethylphenoxy)ethanesulfonate;2-(3-hydroxy-2-methylphenoxy)-2-oxoethanesulfonate;2-(2,3,4,5,6-pentamethylphenoxy)ethanesulfonate;3,3,3-trifluoro-2-(4-fluoro-2,3,5,6-tetramethylphenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-(2,3,4,5,6-pentamethylphenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-trimethylphenoxy)carbonylbicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-trimethylphenoxy)carbonylbicyclo[2.2.2]octane-2-carbonyl]oxypropane-1-sulfonate;2-(2,4,5-trimethylphenoxy)ethanesulfonate is Cc1c(C)c(C)c(OC(CS(=O)(=O)[O-])C(F)(F)F)c(C)c1C.Cc1c(C)c(C)c(OCCS(=O)(=O)[O-])c(C)c1C.Cc1c(C)c(OC(CS(=O)(=O)[O-])C(F)(F)F)c(C)c(C)c1F.Cc1c(C)c(OCCS(=O)(=O)[O-])c(C)c(C)c1F.Cc1c(O)cccc1OC(=O)CS(=O)(=O)[O-].Cc1cc(C)c(OC(=O)C2C3CCC(C3)C2C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)c(C)c1.Cc1cc(C)c(OC(=O)C2C3CCC(CC3)C2C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)c(C)c1.Cc1cc(C)c(OCCS(=O)(=O)[O-])cc1C.
What is the InChIKey of 2-(4-fluoro-2,3,5,6-tetramethylphenoxy)ethanesulfonate;2-(3-hydroxy-2-methylphenoxy)-2-oxoethanesulfonate;2-(2,3,4,5,6-pentamethylphenoxy)ethanesulfonate;3,3,3-trifluoro-2-(4-fluoro-2,3,5,6-tetramethylphenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-(2,3,4,5,6-pentamethylphenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-trimethylphenoxy)carbonylbicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-trimethylphenoxy)carbonylbicyclo[2.2.2]octane-2-carbonyl]oxypropane-1-sulfonate;2-(2,4,5-trimethylphenoxy)ethanesulfonate?
The InChIKey is RQDUALRAJVDYSM-UHFFFAOYSA-F. The full InChI is InChI=1S/C22H27F3O7S.C21H25F3O7S.C14H19F3O4S.C13H16F4O4S.C13H20O4S.C12H17FO4S.C11H16O4S.C9H10O6S/c1-11-8-12(2)19(13(3)9-11)32-21(27)18-15-6-4-14(5-7-15)17(18)20(26)31-16(22(23,24)25)10-33(28,29)30;1-10-6-11(2)18(12(3)7-10)31-20(26)17-14-5-4-13(8-14)16(17)19(25)30-15(21(22,23)24)9-32(27,28)29;1-7-8(2)10(4)13(11(5)9(7)3)21-12(14(15,16)17)6-22(18,19)20;1-6-8(3)12(9(4)7(2)11(6)14)21-10(13(15,16)17)5-22(18,19)20;1-8-9(2)11(4)13(12(5)10(8)3)17-6-7-18(14,15)16;1-7-9(3)12(10(4)8(2)11(7)13)17-5-6-18(14,15)16;1-8-6-10(3)11(7-9(8)2)15-4-5-16(12,13)14;1-6-7(10)3-2-4-8(6)15-9(11)5-16(12,13)14/h8-9,14-18H,4-7,10H2,1-3H3,(H,28,29,30);6-7,13-17H,4-5,8-9H2,1-3H3,(H,27,28,29);12H,6H2,1-5H3,(H,18,19,20);10H,5H2,1-4H3,(H,18,19,20);6-7H2,1-5H3,(H,14,15,16);5-6H2,1-4H3,(H,14,15,16);6-7H,4-5H2,1-3H3,(H,12,13,14);2-4,10H,5H2,1H3,(H,12,13,14)/p-8.
What are the key properties of 2-(4-fluoro-2,3,5,6-tetramethylphenoxy)ethanesulfonate;2-(3-hydroxy-2-methylphenoxy)-2-oxoethanesulfonate;2-(2,3,4,5,6-pentamethylphenoxy)ethanesulfonate;3,3,3-trifluoro-2-(4-fluoro-2,3,5,6-tetramethylphenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-(2,3,4,5,6-pentamethylphenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-trimethylphenoxy)carbonylbicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-trimethylphenoxy)carbonylbicyclo[2.2.2]octane-2-carbonyl]oxypropane-1-sulfonate;2-(2,4,5-trimethylphenoxy)ethanesulfonate?
2-(4-fluoro-2,3,5,6-tetramethylphenoxy)ethanesulfonate;2-(3-hydroxy-2-methylphenoxy)-2-oxoethanesulfonate;2-(2,3,4,5,6-pentamethylphenoxy)ethanesulfonate;3,3,3-trifluoro-2-(4-fluoro-2,3,5,6-tetramethylphenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-(2,3,4,5,6-pentamethylphenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-trimethylphenoxy)carbonylbicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-trimethylphenoxy)carbonylbicyclo[2.2.2]octane-2-carbonyl]oxypropane-1-sulfonate;2-(2,4,5-trimethylphenoxy)ethanesulfonate has a molecular weight of 2686.87 g/mol, XLogP of 18.61, 35 rotatable bonds, 1 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2,3,5,6-tetramethylphenoxy)ethanesulfonate;2-(3-hydroxy-2-methylphenoxy)-2-oxoethanesulfonate;2-(2,3,4,5,6-pentamethylphenoxy)ethanesulfonate;3,3,3-trifluoro-2-(4-fluoro-2,3,5,6-tetramethylphenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-(2,3,4,5,6-pentamethylphenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-trimethylphenoxy)carbonylbicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-trimethylphenoxy)carbonylbicyclo[2.2.2]octane-2-carbonyl]oxypropane-1-sulfonate;2-(2,4,5-trimethylphenoxy)ethanesulfonate is sourced from PubChem (CID 160697275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).