2-(4-chloro-2-iodophenoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(2,3,5-triiodobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,3,5-triiodobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,3,5-triiodobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-oxo-2-[[3-(2,3,5-triiodobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;2-(2-iodophenoxy)-2-oxoethanesulfonate;2-(3-iodophenoxy)-2-oxoethanesulfonate;2-(4-iodophenoxy)-2-oxoethanesulfonate

C135H102ClF11I22O62S10-10 — CID 161410120

IUPAC2-(4-chloro-2-iodophenoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(2,3,5-triiodobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,3,5-triiodobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,3,5-triiodobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-oxo-2-[[3-(2,3,5-triiodobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;2-(2-iodophenoxy)-2-oxoethanesulfonate;2-(3-iodophenoxy)-2-oxoethanesulfonate;2-(4-iodophenoxy)-2-oxoethanesulfonate
SMILESO=C(CS(=O)(=O)[O-])Oc1ccc(Cl)cc1I.O=C(CS(=O)(=O)[O-])Oc1ccc(I)cc1.O=C(CS(=O)(=O)[O-])Oc1cccc(I)c1.O=C(CS(=O)(=O)[O-])Oc1ccccc1I.O=C(OC12CC3CC(C1)CC(OC(=O)C(F)(F)S(=O)(=O)[O-])(C3)C2)c1cc(I)cc(I)c1I.O=C(OC12CC3CC(C1)CC(OC(=O)C(F)S(=O)(=O)[O-])(C3)C2)c1cc(I)cc(I)c1I.O=C(OC1C2CC3CC1CC(C2)C3OC(=O)C(F)(F)S(=O)(=O)[O-])c1cc(I)cc(I)c1I.O=C(OC1CC2CC1CC2OC(=O)C(F)(F)S(=O)(=O)[O-])c1cc(I)cc(I)c1I.O=C(OC1CCC(OC(=O)C(F)(F)S(=O)(=O)[O-])CC1)c1cc(I)cc(I)c1I.O=C(Oc1ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc1)c1cc(I)cc(I)c1I
InChIInChI=1S/2C19H17F2I3O7S.C19H18FI3O7S.C16H13F2I3O7S.C15H13F2I3O7S.C15H7F2I3O7S.C8H6ClIO5S.3C8H7IO5S/c20-19(21,32(27,28)29)16(26)31-18-6-9-1-10(7-18)5-17(4-9,8-18)30-15(25)12-2-11(22)3-13(23)14(12)24;20-19(21,32(27,28)29)18(26)31-16-9-1-7-2-10(16)4-8(3-9)15(7)30-17(25)12-5-11(22)6-13(23)14(12)24;20-15(31(26,27)28)17(25)30-19-6-9-1-10(7-19)5-18(4-9,8-19)29-16(24)12-2-11(21)3-13(22)14(12)23;17-16(18,29(24,25)26)15(23)28-12-3-6-1-7(12)2-11(6)27-14(22)9-4-8(19)5-10(20)13(9)21;2*16-15(17,28(23,24)25)14(22)27-9-3-1-8(2-4-9)26-13(21)10-5-7(18)6-11(19)12(10)20;9-5-1-2-7(6(10)3-5)15-8(11)4-16(12,13)14;9-6-1-3-7(4-2-6)14-8(10)5-15(11,12)13;9-6-2-1-3-7(4-6)14-8(10)5-15(11,12)13;9-6-3-1-2-4-7(6)14-8(10)5-15(11,12)13/h2-3,9-10H,1,4-8H2,(H,27,28,29);5-10,15-16H,1-4H2,(H,27,28,29);2-3,9-10,15H,1,4-8H2,(H,26,27,28);4-7,11-12H,1-3H2,(H,24,25,26);5-6,8-9H,1-4H2,(H,23,24,25);1-6H,(H,23,24,25);1-3H,4H2,(H,12,13,14);3*1-4H,5H2,(H,11,12,13)/p-10
InChIKeyVVIVVDWCNMGAPI-UHFFFAOYSA-D
MW6073.23 g/mol
LogP27.24
Rot. Bonds42

About 2-(4-chloro-2-iodophenoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(2,3,5-triiodobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,3,5-triiodobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,3,5-triiodobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-oxo-2-[[3-(2,3,5-triiodobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;2-(2-iodophenoxy)-2-oxoethanesulfonate;2-(3-iodophenoxy)-2-oxoethanesulfonate;2-(4-iodophenoxy)-2-oxoethanesulfonate

2-(4-chloro-2-iodophenoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(2,3,5-triiodobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,3,5-triiodobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,3,5-triiodobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-oxo-2-[[3-(2,3,5-triiodobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;2-(2-iodophenoxy)-2-oxoethanesulfonate;2-(3-iodophenoxy)-2-oxoethanesulfonate;2-(4-iodophenoxy)-2-oxoethanesulfonate (PubChem CID 161410120) has the molecular formula C135H102ClF11I22O62S10-10 and a molecular weight of 6073.23 g/mol. Its IUPAC name is 2-(4-chloro-2-iodophenoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(2,3,5-triiodobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,3,5-triiodobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,3,5-triiodobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-oxo-2-[[3-(2,3,5-triiodobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;2-(2-iodophenoxy)-2-oxoethanesulfonate;2-(3-iodophenoxy)-2-oxoethanesulfonate;2-(4-iodophenoxy)-2-oxoethanesulfonate.

Molecular Properties

Compound Name2-(4-chloro-2-iodophenoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(2,3,5-triiodobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,3,5-triiodobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,3,5-triiodobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-oxo-2-[[3-(2,3,5-triiodobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;2-(2-iodophenoxy)-2-oxoethanesulfonate;2-(3-iodophenoxy)-2-oxoethanesulfonate;2-(4-iodophenoxy)-2-oxoethanesulfonate
PubChem CID161410120
Molecular FormulaC135H102ClF11I22O62S10-10
Molecular Weight6073.23 g/mol
Exact Mass6070.06
IUPAC Name2-(4-chloro-2-iodophenoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(2,3,5-triiodobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,3,5-triiodobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,3,5-triiodobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-oxo-2-[[3-(2,3,5-triiodobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;2-(2-iodophenoxy)-2-oxoethanesulfonate;2-(3-iodophenoxy)-2-oxoethanesulfonate;2-(4-iodophenoxy)-2-oxoethanesulfonate
SMILESO=C(CS(=O)(=O)[O-])Oc1ccc(Cl)cc1I.O=C(CS(=O)(=O)[O-])Oc1ccc(I)cc1.O=C(CS(=O)(=O)[O-])Oc1cccc(I)c1.O=C(CS(=O)(=O)[O-])Oc1ccccc1I.O=C(OC12CC3CC(C1)CC(OC(=O)C(F)(F)S(=O)(=O)[O-])(C3)C2)c1cc(I)cc(I)c1I.O=C(OC12CC3CC(C1)CC(OC(=O)C(F)S(=O)(=O)[O-])(C3)C2)c1cc(I)cc(I)c1I.O=C(OC1C2CC3CC1CC(C2)C3OC(=O)C(F)(F)S(=O)(=O)[O-])c1cc(I)cc(I)c1I.O=C(OC1CC2CC1CC2OC(=O)C(F)(F)S(=O)(=O)[O-])c1cc(I)cc(I)c1I.O=C(OC1CCC(OC(=O)C(F)(F)S(=O)(=O)[O-])CC1)c1cc(I)cc(I)c1I.O=C(Oc1ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc1)c1cc(I)cc(I)c1I
InChIInChI=1S/2C19H17F2I3O7S.C19H18FI3O7S.C16H13F2I3O7S.C15H13F2I3O7S.C15H7F2I3O7S.C8H6ClIO5S.3C8H7IO5S/c20-19(21,32(27,28)29)16(26)31-18-6-9-1-10(7-18)5-17(4-9,8-18)30-15(25)12-2-11(22)3-13(23)14(12)24;20-19(21,32(27,28)29)18(26)31-16-9-1-7-2-10(16)4-8(3-9)15(7)30-17(25)12-5-11(22)6-13(23)14(12)24;20-15(31(26,27)28)17(25)30-19-6-9-1-10(7-19)5-18(4-9,8-19)29-16(24)12-2-11(21)3-13(22)14(12)23;17-16(18,29(24,25)26)15(23)28-12-3-6-1-7(12)2-11(6)27-14(22)9-4-8(19)5-10(20)13(9)21;2*16-15(17,28(23,24)25)14(22)27-9-3-1-8(2-4-9)26-13(21)10-5-7(18)6-11(19)12(10)20;9-5-1-2-7(6(10)3-5)15-8(11)4-16(12,13)14;9-6-1-3-7(4-2-6)14-8(10)5-15(11,12)13;9-6-2-1-3-7(4-6)14-8(10)5-15(11,12)13;9-6-3-1-2-4-7(6)14-8(10)5-15(11,12)13/h2-3,9-10H,1,4-8H2,(H,27,28,29);5-10,15-16H,1-4H2,(H,27,28,29);2-3,9-10,15H,1,4-8H2,(H,26,27,28);4-7,11-12H,1-3H2,(H,24,25,26);5-6,8-9H,1-4H2,(H,23,24,25);1-6H,(H,23,24,25);1-3H,4H2,(H,12,13,14);3*1-4H,5H2,(H,11,12,13)/p-10
InChIKeyVVIVVDWCNMGAPI-UHFFFAOYSA-D
XLogP27.24
TPSA992.80 Ų
H-Bond Donors
H-Bond Acceptors62
Rotatable Bonds42
Heavy Atoms241
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006073.23
LogP ≤ 527.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1062

Analyze 2-(4-chloro-2-iodophenoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(2,3,5-triiodobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,3,5-triiodobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,3,5-triiodobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-oxo-2-[[3-(2,3,5-triiodobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;2-(2-iodophenoxy)-2-oxoethanesulfonate;2-(3-iodophenoxy)-2-oxoethanesulfonate;2-(4-iodophenoxy)-2-oxoethanesulfonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-iodophenoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(2,3,5-triiodobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,3,5-triiodobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,3,5-triiodobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-oxo-2-[[3-(2,3,5-triiodobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;2-(2-iodophenoxy)-2-oxoethanesulfonate;2-(3-iodophenoxy)-2-oxoethanesulfonate;2-(4-iodophenoxy)-2-oxoethanesulfonate?
The IUPAC name of 2-(4-chloro-2-iodophenoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(2,3,5-triiodobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,3,5-triiodobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,3,5-triiodobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-oxo-2-[[3-(2,3,5-triiodobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;2-(2-iodophenoxy)-2-oxoethanesulfonate;2-(3-iodophenoxy)-2-oxoethanesulfonate;2-(4-iodophenoxy)-2-oxoethanesulfonate (CID 161410120) is 2-(4-chloro-2-iodophenoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(2,3,5-triiodobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,3,5-triiodobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,3,5-triiodobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-oxo-2-[[3-(2,3,5-triiodobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;2-(2-iodophenoxy)-2-oxoethanesulfonate;2-(3-iodophenoxy)-2-oxoethanesulfonate;2-(4-iodophenoxy)-2-oxoethanesulfonate.
What is the SMILES notation for 2-(4-chloro-2-iodophenoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(2,3,5-triiodobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,3,5-triiodobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,3,5-triiodobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-oxo-2-[[3-(2,3,5-triiodobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;2-(2-iodophenoxy)-2-oxoethanesulfonate;2-(3-iodophenoxy)-2-oxoethanesulfonate;2-(4-iodophenoxy)-2-oxoethanesulfonate?
The canonical SMILES for 2-(4-chloro-2-iodophenoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(2,3,5-triiodobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,3,5-triiodobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,3,5-triiodobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-oxo-2-[[3-(2,3,5-triiodobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;2-(2-iodophenoxy)-2-oxoethanesulfonate;2-(3-iodophenoxy)-2-oxoethanesulfonate;2-(4-iodophenoxy)-2-oxoethanesulfonate is O=C(CS(=O)(=O)[O-])Oc1ccc(Cl)cc1I.O=C(CS(=O)(=O)[O-])Oc1ccc(I)cc1.O=C(CS(=O)(=O)[O-])Oc1cccc(I)c1.O=C(CS(=O)(=O)[O-])Oc1ccccc1I.O=C(OC12CC3CC(C1)CC(OC(=O)C(F)(F)S(=O)(=O)[O-])(C3)C2)c1cc(I)cc(I)c1I.O=C(OC12CC3CC(C1)CC(OC(=O)C(F)S(=O)(=O)[O-])(C3)C2)c1cc(I)cc(I)c1I.O=C(OC1C2CC3CC1CC(C2)C3OC(=O)C(F)(F)S(=O)(=O)[O-])c1cc(I)cc(I)c1I.O=C(OC1CC2CC1CC2OC(=O)C(F)(F)S(=O)(=O)[O-])c1cc(I)cc(I)c1I.O=C(OC1CCC(OC(=O)C(F)(F)S(=O)(=O)[O-])CC1)c1cc(I)cc(I)c1I.O=C(Oc1ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc1)c1cc(I)cc(I)c1I.
What is the InChIKey of 2-(4-chloro-2-iodophenoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(2,3,5-triiodobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,3,5-triiodobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,3,5-triiodobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-oxo-2-[[3-(2,3,5-triiodobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;2-(2-iodophenoxy)-2-oxoethanesulfonate;2-(3-iodophenoxy)-2-oxoethanesulfonate;2-(4-iodophenoxy)-2-oxoethanesulfonate?
The InChIKey is VVIVVDWCNMGAPI-UHFFFAOYSA-D. The full InChI is InChI=1S/2C19H17F2I3O7S.C19H18FI3O7S.C16H13F2I3O7S.C15H13F2I3O7S.C15H7F2I3O7S.C8H6ClIO5S.3C8H7IO5S/c20-19(21,32(27,28)29)16(26)31-18-6-9-1-10(7-18)5-17(4-9,8-18)30-15(25)12-2-11(22)3-13(23)14(12)24;20-19(21,32(27,28)29)18(26)31-16-9-1-7-2-10(16)4-8(3-9)15(7)30-17(25)12-5-11(22)6-13(23)14(12)24;20-15(31(26,27)28)17(25)30-19-6-9-1-10(7-19)5-18(4-9,8-19)29-16(24)12-2-11(21)3-13(22)14(12)23;17-16(18,29(24,25)26)15(23)28-12-3-6-1-7(12)2-11(6)27-14(22)9-4-8(19)5-10(20)13(9)21;2*16-15(17,28(23,24)25)14(22)27-9-3-1-8(2-4-9)26-13(21)10-5-7(18)6-11(19)12(10)20;9-5-1-2-7(6(10)3-5)15-8(11)4-16(12,13)14;9-6-1-3-7(4-2-6)14-8(10)5-15(11,12)13;9-6-2-1-3-7(4-6)14-8(10)5-15(11,12)13;9-6-3-1-2-4-7(6)14-8(10)5-15(11,12)13/h2-3,9-10H,1,4-8H2,(H,27,28,29);5-10,15-16H,1-4H2,(H,27,28,29);2-3,9-10,15H,1,4-8H2,(H,26,27,28);4-7,11-12H,1-3H2,(H,24,25,26);5-6,8-9H,1-4H2,(H,23,24,25);1-6H,(H,23,24,25);1-3H,4H2,(H,12,13,14);3*1-4H,5H2,(H,11,12,13)/p-10.
What are the key properties of 2-(4-chloro-2-iodophenoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(2,3,5-triiodobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,3,5-triiodobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,3,5-triiodobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-oxo-2-[[3-(2,3,5-triiodobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;2-(2-iodophenoxy)-2-oxoethanesulfonate;2-(3-iodophenoxy)-2-oxoethanesulfonate;2-(4-iodophenoxy)-2-oxoethanesulfonate?
2-(4-chloro-2-iodophenoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(2,3,5-triiodobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,3,5-triiodobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,3,5-triiodobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-oxo-2-[[3-(2,3,5-triiodobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;2-(2-iodophenoxy)-2-oxoethanesulfonate;2-(3-iodophenoxy)-2-oxoethanesulfonate;2-(4-iodophenoxy)-2-oxoethanesulfonate has a molecular weight of 6073.23 g/mol, XLogP of 27.24, 42 rotatable bonds, 0 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-iodophenoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(2,3,5-triiodobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,3,5-triiodobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,3,5-triiodobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,3,5-triiodobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-oxo-2-[[3-(2,3,5-triiodobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;2-(2-iodophenoxy)-2-oxoethanesulfonate;2-(3-iodophenoxy)-2-oxoethanesulfonate;2-(4-iodophenoxy)-2-oxoethanesulfonate is sourced from PubChem (CID 161410120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).