About 3,3,3-trifluoro-2-methyl-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-oxo-5-(2,4,6-triiodophenoxy)pentanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylbenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[4-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate
3,3,3-trifluoro-2-methyl-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-oxo-5-(2,4,6-triiodophenoxy)pentanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylbenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[4-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate (PubChem CID 158895305) has the molecular formula C113H81F33I21O49S7-7
and a molecular weight of 5739.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-oxo-5-(2,4,6-triiodophenoxy)pentanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylbenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[4-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate.
Frequently Asked Questions
What is the IUPAC name of 3,3,3-trifluoro-2-methyl-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-oxo-5-(2,4,6-triiodophenoxy)pentanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylbenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[4-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-oxo-5-(2,4,6-triiodophenoxy)pentanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylbenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[4-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate (CID 158895305) is 3,3,3-trifluoro-2-methyl-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-oxo-5-(2,4,6-triiodophenoxy)pentanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylbenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[4-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-oxo-5-(2,4,6-triiodophenoxy)pentanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylbenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[4-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-oxo-5-(2,4,6-triiodophenoxy)pentanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylbenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[4-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate is CC(CS(=O)(=O)[O-])(OC(=O)/C=C/C(=O)Oc1c(I)cc(I)cc1I)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)CCC(=O)Oc1c(I)cc(I)cc1I)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)CCCCC(=O)Oc1c(I)cc(I)cc1I)C(F)(F)F.O=C(CCCC(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)Oc1c(I)cc(I)cc1I.O=C(Oc1c(I)cc(I)cc1I)C1CCC(C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)CC1.O=C(Oc1c(I)cc(I)cc1I)C1CCCCC1C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F.O=C(Oc1c(I)cc(I)cc1I)c1ccccc1C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-oxo-5-(2,4,6-triiodophenoxy)pentanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylbenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[4-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate?
The InChIKey is JETJYKMHUCMUMG-ITXCXOHRSA-G. The full InChI is InChI=1S/2C18H15F6I3O7S.C18H9F6I3O7S.C16H16F3I3O7S.C15H11F6I3O7S.C14H12F3I3O7S.C14H10F3I3O7S/c19-17(20,21)16(18(22,23)24,7-35(30,31)32)34-15(29)9-3-1-8(2-4-9)14(28)33-13-11(26)5-10(25)6-12(13)27;2*19-17(20,21)16(18(22,23)24,7-35(30,31)32)34-15(29)10-4-2-1-3-9(10)14(28)33-13-11(26)5-8(25)6-12(13)27;1-15(16(17,18)19,8-30(25,26)27)29-13(24)5-3-2-4-12(23)28-14-10(21)6-9(20)7-11(14)22;16-14(17,18)13(15(19,20)21,6-32(27,28)29)31-11(26)3-1-2-10(25)30-12-8(23)4-7(22)5-9(12)24;2*1-13(14(15,16)17,6-28(23,24)25)27-11(22)3-2-10(21)26-12-8(19)4-7(18)5-9(12)20/h5-6,8-9H,1-4,7H2,(H,30,31,32);5-6,9-10H,1-4,7H2,(H,30,31,32);1-6H,7H2,(H,30,31,32);6-7H,2-5,8H2,1H3,(H,25,26,27);4-5H,1-3,6H2,(H,27,28,29);4-5H,2-3,6H2,1H3,(H,23,24,25);2-5H,6H2,1H3,(H,23,24,25)/p-7/b;;;;;;3-2+.
What are the key properties of 3,3,3-trifluoro-2-methyl-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-oxo-5-(2,4,6-triiodophenoxy)pentanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylbenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[4-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate?
3,3,3-trifluoro-2-methyl-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-oxo-5-(2,4,6-triiodophenoxy)pentanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylbenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[4-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate has a molecular weight of 5739.23 g/mol, XLogP of 31.48, 48 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-oxo-5-(2,4,6-triiodophenoxy)pentanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylbenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[4-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate is sourced from PubChem (CID 158895305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).