2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;3,3,3-trifluoro-2-(2-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(3-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]oxy-2-(trifluoromethyl)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;3,3,3-trifluoro-2-(trifluoromethyl)-2-(2,4,6-triiodophenoxy)propane-1-sulfonate

C129H84F54I22O58S10-10 — CID 165085876

IUPAC2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;3,3,3-trifluoro-2-(2-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(3-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]oxy-2-(trifluoromethyl)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;3,3,3-trifluoro-2-(trifluoromethyl)-2-(2,4,6-triiodophenoxy)propane-1-sulfonate
SMILESO=C(/C=C/C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)Oc1c(I)cc(I)cc1I.O=C(CC(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)Oc1c(I)cc(I)cc1I.O=C(CCC(=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(CCCCC(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)Oc1c(I)cc(I)cc1I.O=C(OCCS(=O)(=O)[O-])C1CCC(C(=O)OCc2ccc(I)cc2)CC1.O=S(=O)([O-])CC(Oc1c(I)cc(I)cc1I)(C(F)(F)F)C(F)(F)F.O=S(=O)([O-])CC(Oc1ccc(I)cc1)(C(F)(F)F)C(F)(F)F.O=S(=O)([O-])CC(Oc1cccc(I)c1)(C(F)(F)F)C(F)(F)F.O=S(=O)([O-])CC(Oc1ccccc1I)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H21IO7S.C16H13F6I3O7S.C15H11F6I3O7S.C14H9F6I3O7S.C14H7F6I3O7S.C13H7F6I3O7S.C10H5F6I3O4S.3C10H7F6IO4S/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;17-15(18,19)14(16(20,21)22,7-33(28,29)30)32-12(27)4-2-1-3-11(26)31-13-9(24)5-8(23)6-10(13)25;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*15-13(16,17)12(14(18,19)20,5-31(26,27)28)30-10(25)2-1-9(24)29-11-7(22)3-6(21)4-8(11)23;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;11-9(12,13)8(10(14,15)16,3-24(20,21)22)23-7-5(18)1-4(17)2-6(7)19;11-9(12,13)8(10(14,15)16,5-22(18,19)20)21-7-3-1-6(17)2-4-7;11-9(12,13)8(10(14,15)16,5-22(18,19)20)21-7-3-1-2-6(17)4-7;11-9(12,13)8(10(14,15)16,5-22(18,19)20)21-7-4-2-1-3-6(7)17/h1-2,7-8,13-14H,3-6,9-11H2,(H,21,22,23);5-6H,1-4,7H2,(H,28,29,30);4-5H,1-3,6H2,(H,27,28,29);3-4H,1-2,5H2,(H,26,27,28);1-4H,5H2,(H,26,27,28);1-2H,3-4H2,(H,25,26,27);1-2H,3H2,(H,20,21,22);3*1-4H,5H2,(H,18,19,20)/p-10/b;;;;2-1+;;;;;
InChIKeyVWYYFKRSDFFVRW-VTIJBPCASA-D
MW6700.48 g/mol
LogP37.00
Rot. Bonds59

About 2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;3,3,3-trifluoro-2-(2-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(3-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]oxy-2-(trifluoromethyl)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;3,3,3-trifluoro-2-(trifluoromethyl)-2-(2,4,6-triiodophenoxy)propane-1-sulfonate

2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;3,3,3-trifluoro-2-(2-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(3-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]oxy-2-(trifluoromethyl)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;3,3,3-trifluoro-2-(trifluoromethyl)-2-(2,4,6-triiodophenoxy)propane-1-sulfonate (PubChem CID 165085876) has the molecular formula C129H84F54I22O58S10-10 and a molecular weight of 6700.48 g/mol. Its IUPAC name is 2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;3,3,3-trifluoro-2-(2-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(3-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]oxy-2-(trifluoromethyl)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;3,3,3-trifluoro-2-(trifluoromethyl)-2-(2,4,6-triiodophenoxy)propane-1-sulfonate.

Molecular Properties

Compound Name2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;3,3,3-trifluoro-2-(2-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(3-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]oxy-2-(trifluoromethyl)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;3,3,3-trifluoro-2-(trifluoromethyl)-2-(2,4,6-triiodophenoxy)propane-1-sulfonate
PubChem CID165085876
Molecular FormulaC129H84F54I22O58S10-10
Molecular Weight6700.48 g/mol
Exact Mass6697.90
IUPAC Name2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;3,3,3-trifluoro-2-(2-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(3-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]oxy-2-(trifluoromethyl)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;3,3,3-trifluoro-2-(trifluoromethyl)-2-(2,4,6-triiodophenoxy)propane-1-sulfonate
SMILESO=C(/C=C/C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)Oc1c(I)cc(I)cc1I.O=C(CC(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)Oc1c(I)cc(I)cc1I.O=C(CCC(=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(CCCCC(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)Oc1c(I)cc(I)cc1I.O=C(OCCS(=O)(=O)[O-])C1CCC(C(=O)OCc2ccc(I)cc2)CC1.O=S(=O)([O-])CC(Oc1c(I)cc(I)cc1I)(C(F)(F)F)C(F)(F)F.O=S(=O)([O-])CC(Oc1ccc(I)cc1)(C(F)(F)F)C(F)(F)F.O=S(=O)([O-])CC(Oc1cccc(I)c1)(C(F)(F)F)C(F)(F)F.O=S(=O)([O-])CC(Oc1ccccc1I)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H21IO7S.C16H13F6I3O7S.C15H11F6I3O7S.C14H9F6I3O7S.C14H7F6I3O7S.C13H7F6I3O7S.C10H5F6I3O4S.3C10H7F6IO4S/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;17-15(18,19)14(16(20,21)22,7-33(28,29)30)32-12(27)4-2-1-3-11(26)31-13-9(24)5-8(23)6-10(13)25;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*15-13(16,17)12(14(18,19)20,5-31(26,27)28)30-10(25)2-1-9(24)29-11-7(22)3-6(21)4-8(11)23;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;11-9(12,13)8(10(14,15)16,3-24(20,21)22)23-7-5(18)1-4(17)2-6(7)19;11-9(12,13)8(10(14,15)16,5-22(18,19)20)21-7-3-1-6(17)2-4-7;11-9(12,13)8(10(14,15)16,5-22(18,19)20)21-7-3-1-2-6(17)4-7;11-9(12,13)8(10(14,15)16,5-22(18,19)20)21-7-4-2-1-3-6(7)17/h1-2,7-8,13-14H,3-6,9-11H2,(H,21,22,23);5-6H,1-4,7H2,(H,28,29,30);4-5H,1-3,6H2,(H,27,28,29);3-4H,1-2,5H2,(H,26,27,28);1-4H,5H2,(H,26,27,28);1-2H,3-4H2,(H,25,26,27);1-2H,3H2,(H,20,21,22);3*1-4H,5H2,(H,18,19,20)/p-10/b;;;;2-1+;;;;;
InChIKeyVWYYFKRSDFFVRW-VTIJBPCASA-D
XLogP37.00
TPSA924.52 Ų
H-Bond Donors
H-Bond Acceptors58
Rotatable Bonds59
Heavy Atoms273
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006700.48
LogP ≤ 537.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1058

Analyze 2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;3,3,3-trifluoro-2-(2-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(3-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]oxy-2-(trifluoromethyl)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;3,3,3-trifluoro-2-(trifluoromethyl)-2-(2,4,6-triiodophenoxy)propane-1-sulfonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;3,3,3-trifluoro-2-(2-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(3-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]oxy-2-(trifluoromethyl)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;3,3,3-trifluoro-2-(trifluoromethyl)-2-(2,4,6-triiodophenoxy)propane-1-sulfonate?
The IUPAC name of 2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;3,3,3-trifluoro-2-(2-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(3-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]oxy-2-(trifluoromethyl)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;3,3,3-trifluoro-2-(trifluoromethyl)-2-(2,4,6-triiodophenoxy)propane-1-sulfonate (CID 165085876) is 2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;3,3,3-trifluoro-2-(2-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(3-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]oxy-2-(trifluoromethyl)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;3,3,3-trifluoro-2-(trifluoromethyl)-2-(2,4,6-triiodophenoxy)propane-1-sulfonate.
What is the SMILES notation for 2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;3,3,3-trifluoro-2-(2-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(3-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]oxy-2-(trifluoromethyl)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;3,3,3-trifluoro-2-(trifluoromethyl)-2-(2,4,6-triiodophenoxy)propane-1-sulfonate?
The canonical SMILES for 2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;3,3,3-trifluoro-2-(2-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(3-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]oxy-2-(trifluoromethyl)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;3,3,3-trifluoro-2-(trifluoromethyl)-2-(2,4,6-triiodophenoxy)propane-1-sulfonate is O=C(/C=C/C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)Oc1c(I)cc(I)cc1I.O=C(CC(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)Oc1c(I)cc(I)cc1I.O=C(CCC(=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(CCCCC(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)Oc1c(I)cc(I)cc1I.O=C(OCCS(=O)(=O)[O-])C1CCC(C(=O)OCc2ccc(I)cc2)CC1.O=S(=O)([O-])CC(Oc1c(I)cc(I)cc1I)(C(F)(F)F)C(F)(F)F.O=S(=O)([O-])CC(Oc1ccc(I)cc1)(C(F)(F)F)C(F)(F)F.O=S(=O)([O-])CC(Oc1cccc(I)c1)(C(F)(F)F)C(F)(F)F.O=S(=O)([O-])CC(Oc1ccccc1I)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;3,3,3-trifluoro-2-(2-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(3-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]oxy-2-(trifluoromethyl)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;3,3,3-trifluoro-2-(trifluoromethyl)-2-(2,4,6-triiodophenoxy)propane-1-sulfonate?
The InChIKey is VWYYFKRSDFFVRW-VTIJBPCASA-D. The full InChI is InChI=1S/C17H21IO7S.C16H13F6I3O7S.C15H11F6I3O7S.C14H9F6I3O7S.C14H7F6I3O7S.C13H7F6I3O7S.C10H5F6I3O4S.3C10H7F6IO4S/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;17-15(18,19)14(16(20,21)22,7-33(28,29)30)32-12(27)4-2-1-3-11(26)31-13-9(24)5-8(23)6-10(13)25;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*15-13(16,17)12(14(18,19)20,5-31(26,27)28)30-10(25)2-1-9(24)29-11-7(22)3-6(21)4-8(11)23;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;11-9(12,13)8(10(14,15)16,3-24(20,21)22)23-7-5(18)1-4(17)2-6(7)19;11-9(12,13)8(10(14,15)16,5-22(18,19)20)21-7-3-1-6(17)2-4-7;11-9(12,13)8(10(14,15)16,5-22(18,19)20)21-7-3-1-2-6(17)4-7;11-9(12,13)8(10(14,15)16,5-22(18,19)20)21-7-4-2-1-3-6(7)17/h1-2,7-8,13-14H,3-6,9-11H2,(H,21,22,23);5-6H,1-4,7H2,(H,28,29,30);4-5H,1-3,6H2,(H,27,28,29);3-4H,1-2,5H2,(H,26,27,28);1-4H,5H2,(H,26,27,28);1-2H,3-4H2,(H,25,26,27);1-2H,3H2,(H,20,21,22);3*1-4H,5H2,(H,18,19,20)/p-10/b;;;;2-1+;;;;;.
What are the key properties of 2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;3,3,3-trifluoro-2-(2-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(3-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]oxy-2-(trifluoromethyl)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;3,3,3-trifluoro-2-(trifluoromethyl)-2-(2,4,6-triiodophenoxy)propane-1-sulfonate?
2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;3,3,3-trifluoro-2-(2-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(3-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]oxy-2-(trifluoromethyl)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;3,3,3-trifluoro-2-(trifluoromethyl)-2-(2,4,6-triiodophenoxy)propane-1-sulfonate has a molecular weight of 6700.48 g/mol, XLogP of 37.00, 59 rotatable bonds, 0 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;3,3,3-trifluoro-2-(2-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(3-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-iodophenoxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[(E)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[6-oxo-6-(2,4,6-triiodophenoxy)hexanoyl]oxy-2-(trifluoromethyl)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;3,3,3-trifluoro-2-(trifluoromethyl)-2-(2,4,6-triiodophenoxy)propane-1-sulfonate is sourced from PubChem (CID 165085876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).