About 2-[5-[2-(4-iodophenyl)ethoxy]-5-oxopentanoyl]oxyethanesulfonate;2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;2-methyl-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxypropane-1-sulfonate;2-methyl-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(2-iodophenoxy)-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-iodophenoxy)-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(4-iodophenoxy)-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(2,4,6-triiodophenoxy)propane-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-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate
2-[5-[2-(4-iodophenyl)ethoxy]-5-oxopentanoyl]oxyethanesulfonate;2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;2-methyl-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxypropane-1-sulfonate;2-methyl-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(2-iodophenoxy)-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-iodophenoxy)-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(4-iodophenoxy)-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(2,4,6-triiodophenoxy)propane-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-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate (PubChem CID 158838598) has the molecular formula C128H114F24I20O58S10-10
and a molecular weight of 5894.96 g/mol. Its IUPAC name is 2-[5-[2-(4-iodophenyl)ethoxy]-5-oxopentanoyl]oxyethanesulfonate;2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;2-methyl-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxypropane-1-sulfonate;2-methyl-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(2-iodophenoxy)-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-iodophenoxy)-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(4-iodophenoxy)-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(2,4,6-triiodophenoxy)propane-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-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate.
Frequently Asked Questions
What is the IUPAC name of 2-[5-[2-(4-iodophenyl)ethoxy]-5-oxopentanoyl]oxyethanesulfonate;2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;2-methyl-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxypropane-1-sulfonate;2-methyl-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(2-iodophenoxy)-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-iodophenoxy)-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(4-iodophenoxy)-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(2,4,6-triiodophenoxy)propane-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-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate?
The IUPAC name of 2-[5-[2-(4-iodophenyl)ethoxy]-5-oxopentanoyl]oxyethanesulfonate;2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;2-methyl-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxypropane-1-sulfonate;2-methyl-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(2-iodophenoxy)-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-iodophenoxy)-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(4-iodophenoxy)-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(2,4,6-triiodophenoxy)propane-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-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate (CID 158838598) is 2-[5-[2-(4-iodophenyl)ethoxy]-5-oxopentanoyl]oxyethanesulfonate;2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;2-methyl-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxypropane-1-sulfonate;2-methyl-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(2-iodophenoxy)-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-iodophenoxy)-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(4-iodophenoxy)-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(2,4,6-triiodophenoxy)propane-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-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate.
What is the SMILES notation for 2-[5-[2-(4-iodophenyl)ethoxy]-5-oxopentanoyl]oxyethanesulfonate;2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;2-methyl-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxypropane-1-sulfonate;2-methyl-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(2-iodophenoxy)-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-iodophenoxy)-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(4-iodophenoxy)-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(2,4,6-triiodophenoxy)propane-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-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate?
The canonical SMILES for 2-[5-[2-(4-iodophenyl)ethoxy]-5-oxopentanoyl]oxyethanesulfonate;2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;2-methyl-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxypropane-1-sulfonate;2-methyl-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(2-iodophenoxy)-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-iodophenoxy)-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(4-iodophenoxy)-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(2,4,6-triiodophenoxy)propane-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-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate is CC(C)(CS(=O)(=O)[O-])OC(=O)/C=C/C(=O)Oc1c(I)cc(I)cc1I.CC(C)(CS(=O)(=O)[O-])OC(=O)CCC(=O)Oc1c(I)cc(I)cc1I.CC(CS(=O)(=O)[O-])(Oc1c(I)cc(I)cc1I)C(F)(F)F.CC(CS(=O)(=O)[O-])(Oc1ccc(I)cc1)C(F)(F)F.CC(CS(=O)(=O)[O-])(Oc1cccc(I)c1)C(F)(F)F.CC(CS(=O)(=O)[O-])(Oc1ccccc1I)C(F)(F)F.O=C(CC(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)Oc1c(I)cc(I)cc1I.O=C(CCCC(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)Oc1c(I)cc(I)cc1I.O=C(CCCC(=O)OCCS(=O)(=O)[O-])OCCc1ccc(I)cc1.O=C(OCCS(=O)(=O)[O-])C1CCC(C(=O)OCc2ccc(I)cc2)CC1.
What is the InChIKey of 2-[5-[2-(4-iodophenyl)ethoxy]-5-oxopentanoyl]oxyethanesulfonate;2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;2-methyl-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxypropane-1-sulfonate;2-methyl-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(2-iodophenoxy)-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-iodophenoxy)-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(4-iodophenoxy)-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(2,4,6-triiodophenoxy)propane-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-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate?
The InChIKey is IXYIUUGBSDBBKB-XCYCTYKWSA-D. The full InChI is InChI=1S/C17H21IO7S.C15H11F6I3O7S.C15H19IO7S.C14H15I3O7S.C14H13I3O7S.C13H7F6I3O7S.C10H8F3I3O4S.3C10H10F3IO4S/c18-15-7-1-12(2-8-15)11-25-17(20)14-5-3-13(4-6-14)16(19)24-9-10-26(21,22)23;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;16-13-6-4-12(5-7-13)8-9-22-14(17)2-1-3-15(18)23-10-11-24(19,20)21;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;14-12(15,16)11(13(17,18)19,4-30(25,26)27)29-9(24)3-8(23)28-10-6(21)1-5(20)2-7(10)22;1-9(10(11,12)13,4-21(17,18)19)20-8-6(15)2-5(14)3-7(8)16;1-9(10(11,12)13,6-19(15,16)17)18-8-4-2-7(14)3-5-8;1-9(10(11,12)13,6-19(15,16)17)18-8-4-2-3-7(14)5-8;1-9(10(11,12)13,6-19(15,16)17)18-8-5-3-2-4-7(8)14/h1-2,7-8,13-14H,3-6,9-11H2,(H,21,22,23);4-5H,1-3,6H2,(H,27,28,29);4-7H,1-3,8-11H2,(H,19,20,21);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-10/b;;;;4-3+;;;;;.
What are the key properties of 2-[5-[2-(4-iodophenyl)ethoxy]-5-oxopentanoyl]oxyethanesulfonate;2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;2-methyl-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxypropane-1-sulfonate;2-methyl-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(2-iodophenoxy)-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-iodophenoxy)-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(4-iodophenoxy)-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(2,4,6-triiodophenoxy)propane-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-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate?
2-[5-[2-(4-iodophenyl)ethoxy]-5-oxopentanoyl]oxyethanesulfonate;2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;2-methyl-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxypropane-1-sulfonate;2-methyl-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(2-iodophenoxy)-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-iodophenoxy)-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(4-iodophenoxy)-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(2,4,6-triiodophenoxy)propane-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-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate has a molecular weight of 5894.96 g/mol, XLogP of 29.38, 60 rotatable bonds, 0 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(4-iodophenyl)ethoxy]-5-oxopentanoyl]oxyethanesulfonate;2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;2-methyl-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxypropane-1-sulfonate;2-methyl-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(2-iodophenoxy)-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-iodophenoxy)-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(4-iodophenoxy)-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(2,4,6-triiodophenoxy)propane-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-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate is sourced from PubChem (CID 158838598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).