2-(4-fluoro-2,3,5,6-tetraiodophenoxy)ethanesulfonate;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethanesulfonate;2-(3-hydroxy-2,4,6-triiodobenzoyl)oxyethanesulfonate;2-(2,3,4,5,6-pentaiodophenoxy)ethanesulfonate;3,3,3-trifluoro-2-(2-hydroxy-4-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(2-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(3-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(2,3,4,5,6-pentaiodophenoxy)propane-1-sulfonate;2-(2,4,5-triiodophenoxy)ethanesulfonate

C95H54F28I26O49S10-10 — CID 158836039

About 2-(4-fluoro-2,3,5,6-tetraiodophenoxy)ethanesulfonate;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethanesulfonate;2-(3-hydroxy-2,4,6-triiodobenzoyl)oxyethanesulfonate;2-(2,3,4,5,6-pentaiodophenoxy)ethanesulfonate;3,3,3-trifluoro-2-(2-hydroxy-4-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(2-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(3-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(2,3,4,5,6-pentaiodophenoxy)propane-1-sulfonate;2-(2,4,5-triiodophenoxy)ethanesulfonate

2-(4-fluoro-2,3,5,6-tetraiodophenoxy)ethanesulfonate;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethanesulfonate;2-(3-hydroxy-2,4,6-triiodobenzoyl)oxyethanesulfonate;2-(2,3,4,5,6-pentaiodophenoxy)ethanesulfonate;3,3,3-trifluoro-2-(2-hydroxy-4-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(2-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(3-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(2,3,4,5,6-pentaiodophenoxy)propane-1-sulfonate;2-(2,4,5-triiodophenoxy)ethanesulfonate (PubChem CID 158836039) has the molecular formula C95H54F28I26O49S10-10 and a molecular weight of 6131.55 g/mol. Its IUPAC name is 2-(4-fluoro-2,3,5,6-tetraiodophenoxy)ethanesulfonate;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethanesulfonate;2-(3-hydroxy-2,4,6-triiodobenzoyl)oxyethanesulfonate;2-(2,3,4,5,6-pentaiodophenoxy)ethanesulfonate;3,3,3-trifluoro-2-(2-hydroxy-4-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(2-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(3-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(2,3,4,5,6-pentaiodophenoxy)propane-1-sulfonate;2-(2,4,5-triiodophenoxy)ethanesulfonate.

Molecular Properties

• Compound Name: 2-(4-fluoro-2,3,5,6-tetraiodophenoxy)ethanesulfonate;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethanesulfonate;2-(3-hydroxy-2,4,6-triiodobenzoyl)oxyethanesulfonate;2-(2,3,4,5,6-pentaiodophenoxy)ethanesulfonate;3,3,3-trifluoro-2-(2-hydroxy-4-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(2-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(3-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(2,3,4,5,6-pentaiodophenoxy)propane-1-sulfonate;2-(2,4,5-triiodophenoxy)ethanesulfonate
• PubChem CID: 158836039
• Molecular Formula: C95H54F28I26O49S10-10
• Molecular Weight: 6131.55 g/mol
• Exact Mass: 6129.37
• IUPAC Name: 2-(4-fluoro-2,3,5,6-tetraiodophenoxy)ethanesulfonate;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethanesulfonate;2-(3-hydroxy-2,4,6-triiodobenzoyl)oxyethanesulfonate;2-(2,3,4,5,6-pentaiodophenoxy)ethanesulfonate;3,3,3-trifluoro-2-(2-hydroxy-4-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(2-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(3-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(2,3,4,5,6-pentaiodophenoxy)propane-1-sulfonate;2-(2,4,5-triiodophenoxy)ethanesulfonate
• SMILES: O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)c1ccc(I)cc1.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)c1ccc(I)cc1O.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)c1cccc(I)c1.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)c1ccccc1I.O=C(OCCS(=O)(=O)[O-])c1c(I)cc(I)c(O)c1I.O=C(OCCS(=O)(=O)[O-])c1cc(I)cc(I)c1O.O=S(=O)([O-])CC(Oc1c(I)c(I)c(I)c(I)c1I)C(F)(F)F.O=S(=O)([O-])CCOc1c(I)c(I)c(F)c(I)c1I.O=S(=O)([O-])CCOc1c(I)c(I)c(I)c(I)c1I.O=S(=O)([O-])CCOc1cc(I)c(I)cc1I
• InChI: InChI=1S/C11H7F6IO6S.3C11H7F6IO5S.C9H4F3I5O4S.C9H7I3O6S.C9H8I2O6S.C8H5FI4O4S.C8H5I5O4S.C8H7I3O4S/c12-10(13,14)9(11(15,16)17,4-25(21,22)23)24-8(20)6-2-1-5(18)3-7(6)19;12-10(13,14)9(11(15,16)17,5-24(20,21)22)23-8(19)6-1-3-7(18)4-2-6;12-10(13,14)9(11(15,16)17,5-24(20,21)22)23-8(19)6-2-1-3-7(18)4-6;12-10(13,14)9(11(15,16)17,5-24(20,21)22)23-8(19)6-3-1-2-4-7(6)18;10-9(11,12)2(1-22(18,19)20)21-8-6(16)4(14)3(13)5(15)7(8)17;10-4-3-5(11)8(13)7(12)6(4)9(14)18-1-2-19(15,16)17;10-5-3-6(8(12)7(11)4-5)9(13)17-1-2-18(14,15)16;2*9-3-4(10)6(12)8(7(13)5(3)11)17-1-2-18(14,15)16;9-5-3-7(11)8(4-6(5)10)15-1-2-16(12,13)14/h1-3,19H,4H2,(H,21,22,23);3*1-4H,5H2,(H,20,21,22);2H,1H2,(H,18,19,20);3,13H,1-2H2,(H,15,16,17);3-4,12H,1-2H2,(H,14,15,16);2*1-2H2,(H,14,15,16);3-4H,1-2H2,(H,12,13,14)/p-10
• InChIKey: IXQOHIJQMUGCPX-UHFFFAOYSA-D
• XLogP: 28.13
• TPSA: 827.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 49
• Rotatable Bonds: 40
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	6131.55
LogP ≤ 5	28.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2,3,5,6-tetraiodophenoxy)ethanesulfonate;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethanesulfonate;2-(3-hydroxy-2,4,6-triiodobenzoyl)oxyethanesulfonate;2-(2,3,4,5,6-pentaiodophenoxy)ethanesulfonate;3,3,3-trifluoro-2-(2-hydroxy-4-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(2-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(3-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(2,3,4,5,6-pentaiodophenoxy)propane-1-sulfonate;2-(2,4,5-triiodophenoxy)ethanesulfonate?

The IUPAC name of 2-(4-fluoro-2,3,5,6-tetraiodophenoxy)ethanesulfonate;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethanesulfonate;2-(3-hydroxy-2,4,6-triiodobenzoyl)oxyethanesulfonate;2-(2,3,4,5,6-pentaiodophenoxy)ethanesulfonate;3,3,3-trifluoro-2-(2-hydroxy-4-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(2-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(3-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(2,3,4,5,6-pentaiodophenoxy)propane-1-sulfonate;2-(2,4,5-triiodophenoxy)ethanesulfonate (CID 158836039) is 2-(4-fluoro-2,3,5,6-tetraiodophenoxy)ethanesulfonate;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethanesulfonate;2-(3-hydroxy-2,4,6-triiodobenzoyl)oxyethanesulfonate;2-(2,3,4,5,6-pentaiodophenoxy)ethanesulfonate;3,3,3-trifluoro-2-(2-hydroxy-4-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(2-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(3-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(2,3,4,5,6-pentaiodophenoxy)propane-1-sulfonate;2-(2,4,5-triiodophenoxy)ethanesulfonate.

What is the SMILES notation for 2-(4-fluoro-2,3,5,6-tetraiodophenoxy)ethanesulfonate;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethanesulfonate;2-(3-hydroxy-2,4,6-triiodobenzoyl)oxyethanesulfonate;2-(2,3,4,5,6-pentaiodophenoxy)ethanesulfonate;3,3,3-trifluoro-2-(2-hydroxy-4-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(2-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(3-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(2,3,4,5,6-pentaiodophenoxy)propane-1-sulfonate;2-(2,4,5-triiodophenoxy)ethanesulfonate?

The canonical SMILES for 2-(4-fluoro-2,3,5,6-tetraiodophenoxy)ethanesulfonate;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethanesulfonate;2-(3-hydroxy-2,4,6-triiodobenzoyl)oxyethanesulfonate;2-(2,3,4,5,6-pentaiodophenoxy)ethanesulfonate;3,3,3-trifluoro-2-(2-hydroxy-4-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(2-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(3-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(2,3,4,5,6-pentaiodophenoxy)propane-1-sulfonate;2-(2,4,5-triiodophenoxy)ethanesulfonate is O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)c1ccc(I)cc1.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)c1ccc(I)cc1O.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)c1cccc(I)c1.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)c1ccccc1I.O=C(OCCS(=O)(=O)[O-])c1c(I)cc(I)c(O)c1I.O=C(OCCS(=O)(=O)[O-])c1cc(I)cc(I)c1O.O=S(=O)([O-])CC(Oc1c(I)c(I)c(I)c(I)c1I)C(F)(F)F.O=S(=O)([O-])CCOc1c(I)c(I)c(F)c(I)c1I.O=S(=O)([O-])CCOc1c(I)c(I)c(I)c(I)c1I.O=S(=O)([O-])CCOc1cc(I)c(I)cc1I.

What is the InChIKey of 2-(4-fluoro-2,3,5,6-tetraiodophenoxy)ethanesulfonate;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethanesulfonate;2-(3-hydroxy-2,4,6-triiodobenzoyl)oxyethanesulfonate;2-(2,3,4,5,6-pentaiodophenoxy)ethanesulfonate;3,3,3-trifluoro-2-(2-hydroxy-4-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(2-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(3-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(2,3,4,5,6-pentaiodophenoxy)propane-1-sulfonate;2-(2,4,5-triiodophenoxy)ethanesulfonate?

The InChIKey is IXQOHIJQMUGCPX-UHFFFAOYSA-D. The full InChI is InChI=1S/C11H7F6IO6S.3C11H7F6IO5S.C9H4F3I5O4S.C9H7I3O6S.C9H8I2O6S.C8H5FI4O4S.C8H5I5O4S.C8H7I3O4S/c12-10(13,14)9(11(15,16)17,4-25(21,22)23)24-8(20)6-2-1-5(18)3-7(6)19;12-10(13,14)9(11(15,16)17,5-24(20,21)22)23-8(19)6-1-3-7(18)4-2-6;12-10(13,14)9(11(15,16)17,5-24(20,21)22)23-8(19)6-2-1-3-7(18)4-6;12-10(13,14)9(11(15,16)17,5-24(20,21)22)23-8(19)6-3-1-2-4-7(6)18;10-9(11,12)2(1-22(18,19)20)21-8-6(16)4(14)3(13)5(15)7(8)17;10-4-3-5(11)8(13)7(12)6(4)9(14)18-1-2-19(15,16)17;10-5-3-6(8(12)7(11)4-5)9(13)17-1-2-18(14,15)16;2*9-3-4(10)6(12)8(7(13)5(3)11)17-1-2-18(14,15)16;9-5-3-7(11)8(4-6(5)10)15-1-2-16(12,13)14/h1-3,19H,4H2,(H,21,22,23);3*1-4H,5H2,(H,20,21,22);2H,1H2,(H,18,19,20);3,13H,1-2H2,(H,15,16,17);3-4,12H,1-2H2,(H,14,15,16);2*1-2H2,(H,14,15,16);3-4H,1-2H2,(H,12,13,14)/p-10.

What are the key properties of 2-(4-fluoro-2,3,5,6-tetraiodophenoxy)ethanesulfonate;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethanesulfonate;2-(3-hydroxy-2,4,6-triiodobenzoyl)oxyethanesulfonate;2-(2,3,4,5,6-pentaiodophenoxy)ethanesulfonate;3,3,3-trifluoro-2-(2-hydroxy-4-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(2-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(3-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(2,3,4,5,6-pentaiodophenoxy)propane-1-sulfonate;2-(2,4,5-triiodophenoxy)ethanesulfonate?

2-(4-fluoro-2,3,5,6-tetraiodophenoxy)ethanesulfonate;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethanesulfonate;2-(3-hydroxy-2,4,6-triiodobenzoyl)oxyethanesulfonate;2-(2,3,4,5,6-pentaiodophenoxy)ethanesulfonate;3,3,3-trifluoro-2-(2-hydroxy-4-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(2-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(3-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(2,3,4,5,6-pentaiodophenoxy)propane-1-sulfonate;2-(2,4,5-triiodophenoxy)ethanesulfonate has a molecular weight of 6131.55 g/mol, XLogP of 28.13, 40 rotatable bonds, 3 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluoro-2,3,5,6-tetraiodophenoxy)ethanesulfonate;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethanesulfonate;2-(3-hydroxy-2,4,6-triiodobenzoyl)oxyethanesulfonate;2-(2,3,4,5,6-pentaiodophenoxy)ethanesulfonate;3,3,3-trifluoro-2-(2-hydroxy-4-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(2-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(3-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(2,3,4,5,6-pentaiodophenoxy)propane-1-sulfonate;2-(2,4,5-triiodophenoxy)ethanesulfonate is sourced from PubChem (CID 158836039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).