About 2-(2-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(3-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(4-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-methyl-2-[4-oxo-4-(2,4,6-tribromophenoxy)butanoyl]oxypropane-1-sulfonate;2-methyl-2-[(E)-4-oxo-4-(2,4,6-tribromophenoxy)but-2-enoyl]oxypropane-1-sulfonate;2-methyl-2-[6-oxo-6-(2,4,6-tribromophenoxy)hexanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(2,4,6-tribromophenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-[5-oxo-5-(2,4,6-tribromophenoxy)pentanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[3-oxo-3-(2,4,6-tribromophenoxy)propanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate
2-(2-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(3-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(4-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-methyl-2-[4-oxo-4-(2,4,6-tribromophenoxy)butanoyl]oxypropane-1-sulfonate;2-methyl-2-[(E)-4-oxo-4-(2,4,6-tribromophenoxy)but-2-enoyl]oxypropane-1-sulfonate;2-methyl-2-[6-oxo-6-(2,4,6-tribromophenoxy)hexanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(2,4,6-tribromophenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-[5-oxo-5-(2,4,6-tribromophenoxy)pentanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[3-oxo-3-(2,4,6-tribromophenoxy)propanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate (PubChem CID 159924137) has the molecular formula C112H94Br21F24O51S9-9
and a molecular weight of 4678.47 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(3-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(4-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-methyl-2-[4-oxo-4-(2,4,6-tribromophenoxy)butanoyl]oxypropane-1-sulfonate;2-methyl-2-[(E)-4-oxo-4-(2,4,6-tribromophenoxy)but-2-enoyl]oxypropane-1-sulfonate;2-methyl-2-[6-oxo-6-(2,4,6-tribromophenoxy)hexanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(2,4,6-tribromophenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-[5-oxo-5-(2,4,6-tribromophenoxy)pentanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[3-oxo-3-(2,4,6-tribromophenoxy)propanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate.
Frequently Asked Questions
What is the IUPAC name of 2-(2-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(3-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(4-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-methyl-2-[4-oxo-4-(2,4,6-tribromophenoxy)butanoyl]oxypropane-1-sulfonate;2-methyl-2-[(E)-4-oxo-4-(2,4,6-tribromophenoxy)but-2-enoyl]oxypropane-1-sulfonate;2-methyl-2-[6-oxo-6-(2,4,6-tribromophenoxy)hexanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(2,4,6-tribromophenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-[5-oxo-5-(2,4,6-tribromophenoxy)pentanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[3-oxo-3-(2,4,6-tribromophenoxy)propanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate?
The IUPAC name of 2-(2-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(3-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(4-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-methyl-2-[4-oxo-4-(2,4,6-tribromophenoxy)butanoyl]oxypropane-1-sulfonate;2-methyl-2-[(E)-4-oxo-4-(2,4,6-tribromophenoxy)but-2-enoyl]oxypropane-1-sulfonate;2-methyl-2-[6-oxo-6-(2,4,6-tribromophenoxy)hexanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(2,4,6-tribromophenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-[5-oxo-5-(2,4,6-tribromophenoxy)pentanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[3-oxo-3-(2,4,6-tribromophenoxy)propanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate (CID 159924137) is 2-(2-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(3-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(4-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-methyl-2-[4-oxo-4-(2,4,6-tribromophenoxy)butanoyl]oxypropane-1-sulfonate;2-methyl-2-[(E)-4-oxo-4-(2,4,6-tribromophenoxy)but-2-enoyl]oxypropane-1-sulfonate;2-methyl-2-[6-oxo-6-(2,4,6-tribromophenoxy)hexanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(2,4,6-tribromophenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-[5-oxo-5-(2,4,6-tribromophenoxy)pentanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[3-oxo-3-(2,4,6-tribromophenoxy)propanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate.
What is the SMILES notation for 2-(2-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(3-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(4-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-methyl-2-[4-oxo-4-(2,4,6-tribromophenoxy)butanoyl]oxypropane-1-sulfonate;2-methyl-2-[(E)-4-oxo-4-(2,4,6-tribromophenoxy)but-2-enoyl]oxypropane-1-sulfonate;2-methyl-2-[6-oxo-6-(2,4,6-tribromophenoxy)hexanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(2,4,6-tribromophenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-[5-oxo-5-(2,4,6-tribromophenoxy)pentanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[3-oxo-3-(2,4,6-tribromophenoxy)propanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate?
The canonical SMILES for 2-(2-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(3-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(4-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-methyl-2-[4-oxo-4-(2,4,6-tribromophenoxy)butanoyl]oxypropane-1-sulfonate;2-methyl-2-[(E)-4-oxo-4-(2,4,6-tribromophenoxy)but-2-enoyl]oxypropane-1-sulfonate;2-methyl-2-[6-oxo-6-(2,4,6-tribromophenoxy)hexanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(2,4,6-tribromophenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-[5-oxo-5-(2,4,6-tribromophenoxy)pentanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[3-oxo-3-(2,4,6-tribromophenoxy)propanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate is CC(C)(CS(=O)(=O)[O-])OC(=O)/C=C/C(=O)Oc1c(Br)cc(Br)cc1Br.CC(C)(CS(=O)(=O)[O-])OC(=O)CCC(=O)Oc1c(Br)cc(Br)cc1Br.CC(C)(CS(=O)(=O)[O-])OC(=O)CCCCC(=O)Oc1c(Br)cc(Br)cc1Br.CC(CS(=O)(=O)[O-])(Oc1c(Br)cc(Br)cc1Br)C(F)(F)F.CC(CS(=O)(=O)[O-])(Oc1ccc(Br)cc1)C(F)(F)F.CC(CS(=O)(=O)[O-])(Oc1cccc(Br)c1)C(F)(F)F.CC(CS(=O)(=O)[O-])(Oc1ccccc1Br)C(F)(F)F.O=C(CC(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)Oc1c(Br)cc(Br)cc1Br.O=C(CCCC(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)Oc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 2-(2-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(3-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(4-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-methyl-2-[4-oxo-4-(2,4,6-tribromophenoxy)butanoyl]oxypropane-1-sulfonate;2-methyl-2-[(E)-4-oxo-4-(2,4,6-tribromophenoxy)but-2-enoyl]oxypropane-1-sulfonate;2-methyl-2-[6-oxo-6-(2,4,6-tribromophenoxy)hexanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(2,4,6-tribromophenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-[5-oxo-5-(2,4,6-tribromophenoxy)pentanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[3-oxo-3-(2,4,6-tribromophenoxy)propanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate?
The InChIKey is NYUDWPNTTDTWBW-XEFBXBRRSA-E. The full InChI is InChI=1S/C16H19Br3O7S.C15H11Br3F6O7S.C14H15Br3O7S.C14H13Br3O7S.C13H7Br3F6O7S.C10H8Br3F3O4S.3C10H10BrF3O4S/c1-16(2,9-27(22,23)24)26-14(21)6-4-3-5-13(20)25-15-11(18)7-10(17)8-12(15)19;16-7-4-8(17)12(9(18)5-7)30-10(25)2-1-3-11(26)31-13(14(19,20)21,15(22,23)24)6-32(27,28)29;2*1-14(2,7-25(20,21)22)24-12(19)4-3-11(18)23-13-9(16)5-8(15)6-10(13)17;14-5-1-6(15)10(7(16)2-5)28-8(23)3-9(24)29-11(12(17,18)19,13(20,21)22)4-30(25,26)27;1-9(10(14,15)16,4-21(17,18)19)20-8-6(12)2-5(11)3-7(8)13;1-9(10(12,13)14,6-19(15,16)17)18-8-4-2-7(11)3-5-8;1-9(10(12,13)14,6-19(15,16)17)18-8-4-2-3-7(11)5-8;1-9(10(12,13)14,6-19(15,16)17)18-8-5-3-2-4-7(8)11/h7-8H,3-6,9H2,1-2H3,(H,22,23,24);4-5H,1-3,6H2,(H,27,28,29);5-6H,3-4,7H2,1-2H3,(H,20,21,22);3-6H,7H2,1-2H3,(H,20,21,22);1-2H,3-4H2,(H,25,26,27);2-3H,4H2,1H3,(H,17,18,19);3*2-5H,6H2,1H3,(H,15,16,17)/p-9/b;;;4-3+;;;;;.
What are the key properties of 2-(2-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(3-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(4-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-methyl-2-[4-oxo-4-(2,4,6-tribromophenoxy)butanoyl]oxypropane-1-sulfonate;2-methyl-2-[(E)-4-oxo-4-(2,4,6-tribromophenoxy)but-2-enoyl]oxypropane-1-sulfonate;2-methyl-2-[6-oxo-6-(2,4,6-tribromophenoxy)hexanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(2,4,6-tribromophenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-[5-oxo-5-(2,4,6-tribromophenoxy)pentanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[3-oxo-3-(2,4,6-tribromophenoxy)propanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate?
2-(2-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(3-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(4-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-methyl-2-[4-oxo-4-(2,4,6-tribromophenoxy)butanoyl]oxypropane-1-sulfonate;2-methyl-2-[(E)-4-oxo-4-(2,4,6-tribromophenoxy)but-2-enoyl]oxypropane-1-sulfonate;2-methyl-2-[6-oxo-6-(2,4,6-tribromophenoxy)hexanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(2,4,6-tribromophenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-[5-oxo-5-(2,4,6-tribromophenoxy)pentanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[3-oxo-3-(2,4,6-tribromophenoxy)propanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate has a molecular weight of 4678.47 g/mol, XLogP of 32.66, 52 rotatable bonds, 0 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(3-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(4-bromophenoxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-methyl-2-[4-oxo-4-(2,4,6-tribromophenoxy)butanoyl]oxypropane-1-sulfonate;2-methyl-2-[(E)-4-oxo-4-(2,4,6-tribromophenoxy)but-2-enoyl]oxypropane-1-sulfonate;2-methyl-2-[6-oxo-6-(2,4,6-tribromophenoxy)hexanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(2,4,6-tribromophenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-[5-oxo-5-(2,4,6-tribromophenoxy)pentanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[3-oxo-3-(2,4,6-tribromophenoxy)propanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate is sourced from PubChem (CID 159924137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).