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;2-methyl-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]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

C112H94F24I21O51S9-9 — CID 158146723

IUPAC2-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;2-methyl-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]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
SMILESCC(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(C)(CS(=O)(=O)[O-])OC(=O)CCCCC(=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
InChIInChI=1S/C16H19I3O7S.C15H11F6I3O7S.C14H15I3O7S.C14H13I3O7S.C13H7F6I3O7S.C10H8F3I3O4S.3C10H10F3IO4S/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;16-14(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*1-14(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/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+;;;;;
InChIKeyFUPLBFDCIPTPII-XEFBXBRRSA-E
MW5665.47 g/mol
LogP29.34
Rot. Bonds52

About 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;2-methyl-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]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-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;2-methyl-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]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 158146723) has the molecular formula C112H94F24I21O51S9-9 and a molecular weight of 5665.47 g/mol. Its IUPAC name is 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;2-methyl-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]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.

Molecular Properties

Compound Name2-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;2-methyl-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]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 CID158146723
Molecular FormulaC112H94F24I21O51S9-9
Molecular Weight5665.47 g/mol
Exact Mass5663.19
IUPAC Name2-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;2-methyl-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]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
SMILESCC(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(C)(CS(=O)(=O)[O-])OC(=O)CCCCC(=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
InChIInChI=1S/C16H19I3O7S.C15H11F6I3O7S.C14H15I3O7S.C14H13I3O7S.C13H7F6I3O7S.C10H8F3I3O4S.3C10H10F3IO4S/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;16-14(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*1-14(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/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+;;;;;
InChIKeyFUPLBFDCIPTPII-XEFBXBRRSA-E
XLogP29.34
TPSA814.72 Ų
H-Bond Donors
H-Bond Acceptors51
Rotatable Bonds52
Heavy Atoms217
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005665.47
LogP ≤ 529.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 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;2-methyl-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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;2-methyl-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]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-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;2-methyl-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]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 158146723) is 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;2-methyl-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]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-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;2-methyl-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]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-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;2-methyl-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]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(C)(CS(=O)(=O)[O-])OC(=O)CCCCC(=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.
What is the InChIKey of 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;2-methyl-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]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 FUPLBFDCIPTPII-XEFBXBRRSA-E. The full InChI is InChI=1S/C16H19I3O7S.C15H11F6I3O7S.C14H15I3O7S.C14H13I3O7S.C13H7F6I3O7S.C10H8F3I3O4S.3C10H10F3IO4S/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;16-14(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*1-14(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/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-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;2-methyl-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]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-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;2-methyl-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]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 5665.47 g/mol, XLogP of 29.34, 52 rotatable bonds, 0 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 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;2-methyl-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]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 158146723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).