2-[5-[2-(4-iodophenyl)ethoxy]-5-oxopentanoyl]oxyethanesulfonate;2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;2-[5-[(2-iodophenyl)methoxy]-5-oxopentanoyl]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-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate

C127H120F18I18O58S10-10 — CID 159184574

IUPAC2-[5-[2-(4-iodophenyl)ethoxy]-5-oxopentanoyl]oxyethanesulfonate;2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;2-[5-[(2-iodophenyl)methoxy]-5-oxopentanoyl]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-[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(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)OCCS(=O)(=O)[O-])OCCc1ccc(I)cc1.O=C(CCCC(=O)OCc1ccccc1I)OCCS(=O)(=O)[O-].O=C(OCCS(=O)(=O)[O-])C1CCC(C(=O)OCc2ccc(I)cc2)CC1
InChIInChI=1S/C17H21IO7S.C15H19IO7S.C14H15I3O7S.C14H13I3O7S.C14H17IO7S.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;16-13-6-4-12(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;15-12-5-2-1-4-11(12)10-22-14(17)7-3-6-13(16)21-8-9-23(18,19)20;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);4-7H,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);1-2,4-5H,3,6-10H2,(H,18,19,20);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+;;;;;;
InChIKeyKNHZKEXXFLRGNP-DWSYAVOLSA-D
MW5521.21 g/mol
LogP26.44
Rot. Bonds61

About 2-[5-[2-(4-iodophenyl)ethoxy]-5-oxopentanoyl]oxyethanesulfonate;2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;2-[5-[(2-iodophenyl)methoxy]-5-oxopentanoyl]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-[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-[5-[(2-iodophenyl)methoxy]-5-oxopentanoyl]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-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate (PubChem CID 159184574) has the molecular formula C127H120F18I18O58S10-10 and a molecular weight of 5521.21 g/mol. Its IUPAC name is 2-[5-[2-(4-iodophenyl)ethoxy]-5-oxopentanoyl]oxyethanesulfonate;2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;2-[5-[(2-iodophenyl)methoxy]-5-oxopentanoyl]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-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate.

Molecular Properties

Compound Name2-[5-[2-(4-iodophenyl)ethoxy]-5-oxopentanoyl]oxyethanesulfonate;2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;2-[5-[(2-iodophenyl)methoxy]-5-oxopentanoyl]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-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate
PubChem CID159184574
Molecular FormulaC127H120F18I18O58S10-10
Molecular Weight5521.21 g/mol
Exact Mass5518.62
IUPAC Name2-[5-[2-(4-iodophenyl)ethoxy]-5-oxopentanoyl]oxyethanesulfonate;2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;2-[5-[(2-iodophenyl)methoxy]-5-oxopentanoyl]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-[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(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)OCCS(=O)(=O)[O-])OCCc1ccc(I)cc1.O=C(CCCC(=O)OCc1ccccc1I)OCCS(=O)(=O)[O-].O=C(OCCS(=O)(=O)[O-])C1CCC(C(=O)OCc2ccc(I)cc2)CC1
InChIInChI=1S/C17H21IO7S.C15H19IO7S.C14H15I3O7S.C14H13I3O7S.C14H17IO7S.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;16-13-6-4-12(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;15-12-5-2-1-4-11(12)10-22-14(17)7-3-6-13(16)21-8-9-23(18,19)20;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);4-7H,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);1-2,4-5H,3,6-10H2,(H,18,19,20);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+;;;;;;
InChIKeyKNHZKEXXFLRGNP-DWSYAVOLSA-D
XLogP26.44
TPSA924.52 Ų
H-Bond Donors
H-Bond Acceptors58
Rotatable Bonds61
Heavy Atoms231
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005521.21
LogP ≤ 526.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1058

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', '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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 2-[5-[2-(4-iodophenyl)ethoxy]-5-oxopentanoyl]oxyethanesulfonate;2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;2-[5-[(2-iodophenyl)methoxy]-5-oxopentanoyl]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-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate with MolForge

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Related Compounds

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-[5-[(2-iodophenyl)methoxy]-5-oxopentanoyl]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-[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-[5-[(2-iodophenyl)methoxy]-5-oxopentanoyl]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-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate (CID 159184574) is 2-[5-[2-(4-iodophenyl)ethoxy]-5-oxopentanoyl]oxyethanesulfonate;2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxyethanesulfonate;2-[5-[(2-iodophenyl)methoxy]-5-oxopentanoyl]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-[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-[5-[(2-iodophenyl)methoxy]-5-oxopentanoyl]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-[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-[5-[(2-iodophenyl)methoxy]-5-oxopentanoyl]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-[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)OCCS(=O)(=O)[O-])OCCc1ccc(I)cc1.O=C(CCCC(=O)OCc1ccccc1I)OCCS(=O)(=O)[O-].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-[5-[(2-iodophenyl)methoxy]-5-oxopentanoyl]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-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate?
The InChIKey is KNHZKEXXFLRGNP-DWSYAVOLSA-D. The full InChI is InChI=1S/C17H21IO7S.C15H19IO7S.C14H15I3O7S.C14H13I3O7S.C14H17IO7S.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;16-13-6-4-12(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;15-12-5-2-1-4-11(12)10-22-14(17)7-3-6-13(16)21-8-9-23(18,19)20;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);4-7H,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);1-2,4-5H,3,6-10H2,(H,18,19,20);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-[5-[(2-iodophenyl)methoxy]-5-oxopentanoyl]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-[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-[5-[(2-iodophenyl)methoxy]-5-oxopentanoyl]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-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate has a molecular weight of 5521.21 g/mol, XLogP of 26.44, 61 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-[5-[(2-iodophenyl)methoxy]-5-oxopentanoyl]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-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate is sourced from PubChem (CID 159184574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).