2-acetyloxy-3,5-diiodobenzoate;3,5-diiodo-2-(2-iodoacetyl)oxybenzoate;3,5-diiodo-2-(4-iodobutanoyloxy)benzoate;3,5-diiodo-2-(3-iodopropanoyloxy)benzoate;3,5-diiodo-2-methoxybenzoate;3,5-diiodo-2-propanoyloxybenzoate;3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoate;2,3,5,6-tetrafluoro-4-[2-(2,3,5-triiodobenzoyl)oxyacetyl]oxybenzoic acid;2,3,5,6-tetrafluoro-4-[4-(2,3,5-triiodobenzoyl)oxybutanoyloxy]benzoate;2,3,5,6-tetrafluoro-4-[3-(2,3,5-triiodobenzoyl)oxypropanoyloxy]benzoate;2,3,5-triiodo-6-(3,3,3-trifluoro-2-methylpropanoyl)oxybenzoate

C128H61F18I29O49-10 — CID 159119808

IUPAC2-acetyloxy-3,5-diiodobenzoate;3,5-diiodo-2-(2-iodoacetyl)oxybenzoate;3,5-diiodo-2-(4-iodobutanoyloxy)benzoate;3,5-diiodo-2-(3-iodopropanoyloxy)benzoate;3,5-diiodo-2-methoxybenzoate;3,5-diiodo-2-propanoyloxybenzoate;3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoate;2,3,5,6-tetrafluoro-4-[2-(2,3,5-triiodobenzoyl)oxyacetyl]oxybenzoic acid;2,3,5,6-tetrafluoro-4-[4-(2,3,5-triiodobenzoyl)oxybutanoyloxy]benzoate;2,3,5,6-tetrafluoro-4-[3-(2,3,5-triiodobenzoyl)oxypropanoyloxy]benzoate;2,3,5-triiodo-6-(3,3,3-trifluoro-2-methylpropanoyl)oxybenzoate
SMILESCC(=O)Oc1c(I)cc(I)cc1C(=O)[O-].CC(C(=O)Oc1c(I)cc(I)c(I)c1C(=O)[O-])C(F)(F)F.CCC(=O)Oc1c(I)cc(I)cc1C(=O)[O-].COc1c(I)cc(I)cc1C(=O)[O-].O=C(CCCI)Oc1c(I)cc(I)cc1C(=O)[O-].O=C(CCCOC(=O)c1cc(I)cc(I)c1I)Oc1c(F)c(F)c(C(=O)[O-])c(F)c1F.O=C(CCI)Oc1c(I)cc(I)cc1C(=O)[O-].O=C(CCOC(=O)c1cc(I)cc(I)c1I)Oc1c(F)c(F)c(C(=O)[O-])c(F)c1F.O=C(CI)Oc1c(I)cc(I)cc1C(=O)[O-].O=C(COC(=O)c1cc(I)cc(I)c1I)Oc1c(F)c(F)c(C(=O)O)c(F)c1F.O=C([O-])c1cc(I)cc(I)c1OC(=O)C(F)(F)F
InChIInChI=1S/C18H9F4I3O6.C17H7F4I3O6.C16H5F4I3O6.C11H6F3I3O4.C11H9I3O4.C10H7I3O4.C10H8I2O4.C9H3F3I2O4.C9H5I3O4.C9H6I2O4.C8H6I2O3/c19-11-10(17(27)28)12(20)14(22)16(13(11)21)31-9(26)2-1-3-30-18(29)7-4-6(23)5-8(24)15(7)25;18-10-9(16(26)27)11(19)13(21)15(12(10)20)30-8(25)1-2-29-17(28)6-3-5(22)4-7(23)14(6)24;17-9-8(15(25)26)10(18)12(20)14(11(9)19)29-7(24)3-28-16(27)5-1-4(21)2-6(22)13(5)23;1-3(11(12,13)14)10(20)21-8-5(16)2-4(15)7(17)6(8)9(18)19;12-3-1-2-9(15)18-10-7(11(16)17)4-6(13)5-8(10)14;11-2-1-8(14)17-9-6(10(15)16)3-5(12)4-7(9)13;1-2-8(13)16-9-6(10(14)15)3-5(11)4-7(9)12;10-9(11,12)8(17)18-6-4(7(15)16)1-3(13)2-5(6)14;10-3-7(13)16-8-5(9(14)15)1-4(11)2-6(8)12;1-4(12)15-8-6(9(13)14)2-5(10)3-7(8)11;1-13-7-5(8(11)12)2-4(9)3-6(7)10/h4-5H,1-3H2,(H,27,28);3-4H,1-2H2,(H,26,27);1-2H,3H2,(H,25,26);2-3H,1H3,(H,18,19);4-5H,1-3H2,(H,16,17);3-4H,1-2H2,(H,15,16);3-4H,2H2,1H3,(H,14,15);1-2H,(H,15,16);1-2H,3H2,(H,14,15);2-3H,1H3,(H,13,14);2-3H,1H3,(H,11,12)/p-10
InChIKeyKFNXUXFPUUEMAN-UHFFFAOYSA-D
MW6405.03 g/mol
LogP26.74
Rot. Bonds42

About 2-acetyloxy-3,5-diiodobenzoate;3,5-diiodo-2-(2-iodoacetyl)oxybenzoate;3,5-diiodo-2-(4-iodobutanoyloxy)benzoate;3,5-diiodo-2-(3-iodopropanoyloxy)benzoate;3,5-diiodo-2-methoxybenzoate;3,5-diiodo-2-propanoyloxybenzoate;3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoate;2,3,5,6-tetrafluoro-4-[2-(2,3,5-triiodobenzoyl)oxyacetyl]oxybenzoic acid;2,3,5,6-tetrafluoro-4-[4-(2,3,5-triiodobenzoyl)oxybutanoyloxy]benzoate;2,3,5,6-tetrafluoro-4-[3-(2,3,5-triiodobenzoyl)oxypropanoyloxy]benzoate;2,3,5-triiodo-6-(3,3,3-trifluoro-2-methylpropanoyl)oxybenzoate

2-acetyloxy-3,5-diiodobenzoate;3,5-diiodo-2-(2-iodoacetyl)oxybenzoate;3,5-diiodo-2-(4-iodobutanoyloxy)benzoate;3,5-diiodo-2-(3-iodopropanoyloxy)benzoate;3,5-diiodo-2-methoxybenzoate;3,5-diiodo-2-propanoyloxybenzoate;3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoate;2,3,5,6-tetrafluoro-4-[2-(2,3,5-triiodobenzoyl)oxyacetyl]oxybenzoic acid;2,3,5,6-tetrafluoro-4-[4-(2,3,5-triiodobenzoyl)oxybutanoyloxy]benzoate;2,3,5,6-tetrafluoro-4-[3-(2,3,5-triiodobenzoyl)oxypropanoyloxy]benzoate;2,3,5-triiodo-6-(3,3,3-trifluoro-2-methylpropanoyl)oxybenzoate (PubChem CID 159119808) has the molecular formula C128H61F18I29O49-10 and a molecular weight of 6405.03 g/mol. Its IUPAC name is 2-acetyloxy-3,5-diiodobenzoate;3,5-diiodo-2-(2-iodoacetyl)oxybenzoate;3,5-diiodo-2-(4-iodobutanoyloxy)benzoate;3,5-diiodo-2-(3-iodopropanoyloxy)benzoate;3,5-diiodo-2-methoxybenzoate;3,5-diiodo-2-propanoyloxybenzoate;3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoate;2,3,5,6-tetrafluoro-4-[2-(2,3,5-triiodobenzoyl)oxyacetyl]oxybenzoic acid;2,3,5,6-tetrafluoro-4-[4-(2,3,5-triiodobenzoyl)oxybutanoyloxy]benzoate;2,3,5,6-tetrafluoro-4-[3-(2,3,5-triiodobenzoyl)oxypropanoyloxy]benzoate;2,3,5-triiodo-6-(3,3,3-trifluoro-2-methylpropanoyl)oxybenzoate.

Molecular Properties

Compound Name2-acetyloxy-3,5-diiodobenzoate;3,5-diiodo-2-(2-iodoacetyl)oxybenzoate;3,5-diiodo-2-(4-iodobutanoyloxy)benzoate;3,5-diiodo-2-(3-iodopropanoyloxy)benzoate;3,5-diiodo-2-methoxybenzoate;3,5-diiodo-2-propanoyloxybenzoate;3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoate;2,3,5,6-tetrafluoro-4-[2-(2,3,5-triiodobenzoyl)oxyacetyl]oxybenzoic acid;2,3,5,6-tetrafluoro-4-[4-(2,3,5-triiodobenzoyl)oxybutanoyloxy]benzoate;2,3,5,6-tetrafluoro-4-[3-(2,3,5-triiodobenzoyl)oxypropanoyloxy]benzoate;2,3,5-triiodo-6-(3,3,3-trifluoro-2-methylpropanoyl)oxybenzoate
PubChem CID159119808
Molecular FormulaC128H61F18I29O49-10
Molecular Weight6405.03 g/mol
Exact Mass6403.43
IUPAC Name2-acetyloxy-3,5-diiodobenzoate;3,5-diiodo-2-(2-iodoacetyl)oxybenzoate;3,5-diiodo-2-(4-iodobutanoyloxy)benzoate;3,5-diiodo-2-(3-iodopropanoyloxy)benzoate;3,5-diiodo-2-methoxybenzoate;3,5-diiodo-2-propanoyloxybenzoate;3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoate;2,3,5,6-tetrafluoro-4-[2-(2,3,5-triiodobenzoyl)oxyacetyl]oxybenzoic acid;2,3,5,6-tetrafluoro-4-[4-(2,3,5-triiodobenzoyl)oxybutanoyloxy]benzoate;2,3,5,6-tetrafluoro-4-[3-(2,3,5-triiodobenzoyl)oxypropanoyloxy]benzoate;2,3,5-triiodo-6-(3,3,3-trifluoro-2-methylpropanoyl)oxybenzoate
SMILESCC(=O)Oc1c(I)cc(I)cc1C(=O)[O-].CC(C(=O)Oc1c(I)cc(I)c(I)c1C(=O)[O-])C(F)(F)F.CCC(=O)Oc1c(I)cc(I)cc1C(=O)[O-].COc1c(I)cc(I)cc1C(=O)[O-].O=C(CCCI)Oc1c(I)cc(I)cc1C(=O)[O-].O=C(CCCOC(=O)c1cc(I)cc(I)c1I)Oc1c(F)c(F)c(C(=O)[O-])c(F)c1F.O=C(CCI)Oc1c(I)cc(I)cc1C(=O)[O-].O=C(CCOC(=O)c1cc(I)cc(I)c1I)Oc1c(F)c(F)c(C(=O)[O-])c(F)c1F.O=C(CI)Oc1c(I)cc(I)cc1C(=O)[O-].O=C(COC(=O)c1cc(I)cc(I)c1I)Oc1c(F)c(F)c(C(=O)O)c(F)c1F.O=C([O-])c1cc(I)cc(I)c1OC(=O)C(F)(F)F
InChIInChI=1S/C18H9F4I3O6.C17H7F4I3O6.C16H5F4I3O6.C11H6F3I3O4.C11H9I3O4.C10H7I3O4.C10H8I2O4.C9H3F3I2O4.C9H5I3O4.C9H6I2O4.C8H6I2O3/c19-11-10(17(27)28)12(20)14(22)16(13(11)21)31-9(26)2-1-3-30-18(29)7-4-6(23)5-8(24)15(7)25;18-10-9(16(26)27)11(19)13(21)15(12(10)20)30-8(25)1-2-29-17(28)6-3-5(22)4-7(23)14(6)24;17-9-8(15(25)26)10(18)12(20)14(11(9)19)29-7(24)3-28-16(27)5-1-4(21)2-6(22)13(5)23;1-3(11(12,13)14)10(20)21-8-5(16)2-4(15)7(17)6(8)9(18)19;12-3-1-2-9(15)18-10-7(11(16)17)4-6(13)5-8(10)14;11-2-1-8(14)17-9-6(10(15)16)3-5(12)4-7(9)13;1-2-8(13)16-9-6(10(14)15)3-5(11)4-7(9)12;10-9(11,12)8(17)18-6-4(7(15)16)1-3(13)2-5(6)14;10-3-7(13)16-8-5(9(14)15)1-4(11)2-6(8)12;1-4(12)15-8-6(9(13)14)2-5(10)3-7(8)11;1-13-7-5(8(11)12)2-4(9)3-6(7)10/h4-5H,1-3H2,(H,27,28);3-4H,1-2H2,(H,26,27);1-2H,3H2,(H,25,26);2-3H,1H3,(H,18,19);4-5H,1-3H2,(H,16,17);3-4H,1-2H2,(H,15,16);3-4H,2H2,1H3,(H,14,15);1-2H,(H,15,16);1-2H,3H2,(H,14,15);2-3H,1H3,(H,13,14);2-3H,1H3,(H,11,12)/p-10
InChIKeyKFNXUXFPUUEMAN-UHFFFAOYSA-D
XLogP26.74
TPSA789.73 Ų
H-Bond Donors1
H-Bond Acceptors48
Rotatable Bonds42
Heavy Atoms224
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006405.03
LogP ≤ 526.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-acetyloxy-3,5-diiodobenzoate;3,5-diiodo-2-(2-iodoacetyl)oxybenzoate;3,5-diiodo-2-(4-iodobutanoyloxy)benzoate;3,5-diiodo-2-(3-iodopropanoyloxy)benzoate;3,5-diiodo-2-methoxybenzoate;3,5-diiodo-2-propanoyloxybenzoate;3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoate;2,3,5,6-tetrafluoro-4-[2-(2,3,5-triiodobenzoyl)oxyacetyl]oxybenzoic acid;2,3,5,6-tetrafluoro-4-[4-(2,3,5-triiodobenzoyl)oxybutanoyloxy]benzoate;2,3,5,6-tetrafluoro-4-[3-(2,3,5-triiodobenzoyl)oxypropanoyloxy]benzoate;2,3,5-triiodo-6-(3,3,3-trifluoro-2-methylpropanoyl)oxybenzoate with MolForge

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Related Compounds

[4-[(1E,7E)-5,5-dihydroxy-4-methyl-3,6-dioxo-8-[4-[4-(4,4,4-trifluorobutoxy)benzoyl]oxyphenyl]octa-1,7-dienyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate
CID 87260284
[4-[(1E,7E)-5,5-dihydroxy-4-methyl-3,6-dioxo-8-[4-[4-(4,4,5,5,5-pentafluoropentoxy)benzoyl]oxyphenyl]octa-1,7-dienyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate
CID 87260479
Methyl 3-[2-[2-[3-[5-[2-(3,4-difluorophenoxy)acetyl]-4-[[2,4-dihydroxy-5-[2-(4-methoxycarbonylphenoxy)acetyl]phenyl]methoxy]-2-hydroxyphenyl]propoxy]-5-[[2-[2-(3,5-difluorophenoxy)acetyl]-5-hydroxy-4-propylphenoxy]methyl]-4-hydroxyphenyl]-2-oxoethoxy]benzoate
CID 123749705
2-(2-acetyloxyethoxy)ethyl (E)-but-2-enoate;[4-[(E)-3-(2-acetyloxyethoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-(3-acetyloxypropoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate;(4-methylphenyl) 4-(4,4,4-trifluorobutoxy)benzoate
CID 157078174
lithium;ethyl 8-iodo-7-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylate;ethyl (E)-4,4,4-trifluorobut-2-enoate;2-hydroxy-3-iodo-4-methoxybenzaldehyde;2-hydroxy-5-iodo-4-methoxybenzaldehyde;2-hydroxy-4-methoxybenzaldehyde;8-iodo-7-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydroxide
CID 157432556
[4-[(E)-3-[2-(2-acetyloxyethoxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-(2-acetyloxyethoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-(3-acetyloxypropoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate
CID 157579597
2-Methoxyethyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate;4-[4-(2-methylprop-2-enoyloxy)butoxy]benzoic acid;2,2,3,3,4,4,5,5-octafluoropentyl 2-methylprop-2-enoate;2,2,3,3,4,4,5,5-octafluoropentyl prop-2-enoate;2-phenoxyethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;4-(4-prop-2-enoyloxybutoxy)benzoic acid;2,2,2-trifluoroethyl 2-methylprop-2-enoate;trifluoromethyl 2-methylprop-2-enoate
CID 157589833
3-(1-Adamantyl)-2,2-difluoro-3-(2-hydroxy-3,5-diiodobenzoyl)oxypropanoate;3-(1-adamantyl)-2,2-difluoro-3-(2-hydroxy-4-iodobenzoyl)oxypropanoate;3-(1-adamantyl)-2,2-difluoro-3-(2-hydroxy-4-iodobenzoyl)oxypropanoic acid;3-(1-adamantyl)-2,2-difluoro-3-(3-iodo-4-methoxybenzoyl)oxypropanoate;3-(1-adamantyl)-3-[3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoyl]oxy-2,2-difluoropropanoate;2,2-difluoro-3-(2-iodo-4-phenylbenzoyl)oxypropanoate;3-[3,5-diiodo-2,4,6-tri(propan-2-yl)benzoyl]oxy-2,2-difluoropropanoate
CID 157709382
2,2-Difluoro-3-[2-fluoro-2-(2,3,5-triiodobenzoyl)oxyacetyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-iodophenyl)propan-2-yl]-2-iodobenzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-hydroxy-2-(2,3,5-triiodobenzoyl)oxybutanoyl]oxy-4-methylpentanoate;2,2-difluoro-4-methyl-3-[3-methyl-2-(2,3,5-triiodobenzoyl)oxybutanoyl]oxypentanoate;2,2-difluoro-4-methyl-3-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxypentanoate;2,2-difluoro-4-methyl-3-[2,3,5,6-tetrafluoro-4-(4-iodophenoxy)benzoyl]oxypentanoate;2,2-difluoro-4-methyl-3-[2,3,5,6-tetrafluoro-4-(2,4,6-triiodophenoxy)carbonylbenzoyl]oxypentanoate;2,2-difluoro-4-methyl-3-[4-(2,3,5-triiodobenzoyl)oxybutanoyloxy]pentanoate
CID 157747305
3-Benzoyloxy-2,2-difluoro-3-(4-hydroxy-3,5-diiodophenyl)propanoate;3-(4-tert-butylbenzoyl)oxy-2,2-difluoro-3-(4-hydroxy-3,5-diiodophenyl)propanoate;2,2-difluoro-3-[4-(trifluoromethyl)phenyl]-3-(2,3,5-triiodobenzoyl)oxypropanoate;2-[(2,4-diiodo-6-propan-2-yloxycarbonylphenoxy)methyl]-3,3,3-trifluoropropanoate;2-fluoro-3-(2-hydroxy-3,5-diiodobenzoyl)oxypropanoate;2-fluoro-3-(2,3,5-triiodobenzoyl)oxypropanoate;3,3,3-trifluoro-2-[(2-hydroxy-3,5-diiodobenzoyl)oxymethyl]propanoate
CID 157994534
2,2-Difluoro-3-(3-hydroxy-4-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(2-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(3-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(4-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-4-methyl-3-(2,3,4,5,6-pentaiodobenzoyl)oxypentanoate;2,2-difluoro-4-methyl-3-(2,3,5,6-tetraiodobenzoyl)oxypentanoate;2,2-difluoro-4-methyl-3-(2,3,5-triiodobenzoyl)oxypentanoate;2,2-difluoro-4-methyl-3-(2,4,6-triiodobenzoyl)oxypentanoate;3-(2,4-diiodobenzoyl)oxy-2,2-difluoro-4-methylpentanoate;3-(3,5-diiodo-2-methoxybenzoyl)oxy-2,2-difluoropropanoate
CID 158017620
[4-[(E)-3-(4-acetyloxybutoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-[2-(2-acetyloxyethoxy)ethoxy]-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-(2-acetyloxyethoxy)-3-oxoprop-1-enyl]phenyl] 4-(4,4,4-trifluorobutoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,6,6,6-heptafluorohexoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(1,1,2,2,2-pentafluoroethoxy)benzoate;[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-(4,4,5,5,5-pentafluoropentoxy)benzoate
CID 158087930

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxy-3,5-diiodobenzoate;3,5-diiodo-2-(2-iodoacetyl)oxybenzoate;3,5-diiodo-2-(4-iodobutanoyloxy)benzoate;3,5-diiodo-2-(3-iodopropanoyloxy)benzoate;3,5-diiodo-2-methoxybenzoate;3,5-diiodo-2-propanoyloxybenzoate;3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoate;2,3,5,6-tetrafluoro-4-[2-(2,3,5-triiodobenzoyl)oxyacetyl]oxybenzoic acid;2,3,5,6-tetrafluoro-4-[4-(2,3,5-triiodobenzoyl)oxybutanoyloxy]benzoate;2,3,5,6-tetrafluoro-4-[3-(2,3,5-triiodobenzoyl)oxypropanoyloxy]benzoate;2,3,5-triiodo-6-(3,3,3-trifluoro-2-methylpropanoyl)oxybenzoate?
The IUPAC name of 2-acetyloxy-3,5-diiodobenzoate;3,5-diiodo-2-(2-iodoacetyl)oxybenzoate;3,5-diiodo-2-(4-iodobutanoyloxy)benzoate;3,5-diiodo-2-(3-iodopropanoyloxy)benzoate;3,5-diiodo-2-methoxybenzoate;3,5-diiodo-2-propanoyloxybenzoate;3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoate;2,3,5,6-tetrafluoro-4-[2-(2,3,5-triiodobenzoyl)oxyacetyl]oxybenzoic acid;2,3,5,6-tetrafluoro-4-[4-(2,3,5-triiodobenzoyl)oxybutanoyloxy]benzoate;2,3,5,6-tetrafluoro-4-[3-(2,3,5-triiodobenzoyl)oxypropanoyloxy]benzoate;2,3,5-triiodo-6-(3,3,3-trifluoro-2-methylpropanoyl)oxybenzoate (CID 159119808) is 2-acetyloxy-3,5-diiodobenzoate;3,5-diiodo-2-(2-iodoacetyl)oxybenzoate;3,5-diiodo-2-(4-iodobutanoyloxy)benzoate;3,5-diiodo-2-(3-iodopropanoyloxy)benzoate;3,5-diiodo-2-methoxybenzoate;3,5-diiodo-2-propanoyloxybenzoate;3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoate;2,3,5,6-tetrafluoro-4-[2-(2,3,5-triiodobenzoyl)oxyacetyl]oxybenzoic acid;2,3,5,6-tetrafluoro-4-[4-(2,3,5-triiodobenzoyl)oxybutanoyloxy]benzoate;2,3,5,6-tetrafluoro-4-[3-(2,3,5-triiodobenzoyl)oxypropanoyloxy]benzoate;2,3,5-triiodo-6-(3,3,3-trifluoro-2-methylpropanoyl)oxybenzoate.
What is the SMILES notation for 2-acetyloxy-3,5-diiodobenzoate;3,5-diiodo-2-(2-iodoacetyl)oxybenzoate;3,5-diiodo-2-(4-iodobutanoyloxy)benzoate;3,5-diiodo-2-(3-iodopropanoyloxy)benzoate;3,5-diiodo-2-methoxybenzoate;3,5-diiodo-2-propanoyloxybenzoate;3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoate;2,3,5,6-tetrafluoro-4-[2-(2,3,5-triiodobenzoyl)oxyacetyl]oxybenzoic acid;2,3,5,6-tetrafluoro-4-[4-(2,3,5-triiodobenzoyl)oxybutanoyloxy]benzoate;2,3,5,6-tetrafluoro-4-[3-(2,3,5-triiodobenzoyl)oxypropanoyloxy]benzoate;2,3,5-triiodo-6-(3,3,3-trifluoro-2-methylpropanoyl)oxybenzoate?
The canonical SMILES for 2-acetyloxy-3,5-diiodobenzoate;3,5-diiodo-2-(2-iodoacetyl)oxybenzoate;3,5-diiodo-2-(4-iodobutanoyloxy)benzoate;3,5-diiodo-2-(3-iodopropanoyloxy)benzoate;3,5-diiodo-2-methoxybenzoate;3,5-diiodo-2-propanoyloxybenzoate;3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoate;2,3,5,6-tetrafluoro-4-[2-(2,3,5-triiodobenzoyl)oxyacetyl]oxybenzoic acid;2,3,5,6-tetrafluoro-4-[4-(2,3,5-triiodobenzoyl)oxybutanoyloxy]benzoate;2,3,5,6-tetrafluoro-4-[3-(2,3,5-triiodobenzoyl)oxypropanoyloxy]benzoate;2,3,5-triiodo-6-(3,3,3-trifluoro-2-methylpropanoyl)oxybenzoate is CC(=O)Oc1c(I)cc(I)cc1C(=O)[O-].CC(C(=O)Oc1c(I)cc(I)c(I)c1C(=O)[O-])C(F)(F)F.CCC(=O)Oc1c(I)cc(I)cc1C(=O)[O-].COc1c(I)cc(I)cc1C(=O)[O-].O=C(CCCI)Oc1c(I)cc(I)cc1C(=O)[O-].O=C(CCCOC(=O)c1cc(I)cc(I)c1I)Oc1c(F)c(F)c(C(=O)[O-])c(F)c1F.O=C(CCI)Oc1c(I)cc(I)cc1C(=O)[O-].O=C(CCOC(=O)c1cc(I)cc(I)c1I)Oc1c(F)c(F)c(C(=O)[O-])c(F)c1F.O=C(CI)Oc1c(I)cc(I)cc1C(=O)[O-].O=C(COC(=O)c1cc(I)cc(I)c1I)Oc1c(F)c(F)c(C(=O)O)c(F)c1F.O=C([O-])c1cc(I)cc(I)c1OC(=O)C(F)(F)F.
What is the InChIKey of 2-acetyloxy-3,5-diiodobenzoate;3,5-diiodo-2-(2-iodoacetyl)oxybenzoate;3,5-diiodo-2-(4-iodobutanoyloxy)benzoate;3,5-diiodo-2-(3-iodopropanoyloxy)benzoate;3,5-diiodo-2-methoxybenzoate;3,5-diiodo-2-propanoyloxybenzoate;3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoate;2,3,5,6-tetrafluoro-4-[2-(2,3,5-triiodobenzoyl)oxyacetyl]oxybenzoic acid;2,3,5,6-tetrafluoro-4-[4-(2,3,5-triiodobenzoyl)oxybutanoyloxy]benzoate;2,3,5,6-tetrafluoro-4-[3-(2,3,5-triiodobenzoyl)oxypropanoyloxy]benzoate;2,3,5-triiodo-6-(3,3,3-trifluoro-2-methylpropanoyl)oxybenzoate?
The InChIKey is KFNXUXFPUUEMAN-UHFFFAOYSA-D. The full InChI is InChI=1S/C18H9F4I3O6.C17H7F4I3O6.C16H5F4I3O6.C11H6F3I3O4.C11H9I3O4.C10H7I3O4.C10H8I2O4.C9H3F3I2O4.C9H5I3O4.C9H6I2O4.C8H6I2O3/c19-11-10(17(27)28)12(20)14(22)16(13(11)21)31-9(26)2-1-3-30-18(29)7-4-6(23)5-8(24)15(7)25;18-10-9(16(26)27)11(19)13(21)15(12(10)20)30-8(25)1-2-29-17(28)6-3-5(22)4-7(23)14(6)24;17-9-8(15(25)26)10(18)12(20)14(11(9)19)29-7(24)3-28-16(27)5-1-4(21)2-6(22)13(5)23;1-3(11(12,13)14)10(20)21-8-5(16)2-4(15)7(17)6(8)9(18)19;12-3-1-2-9(15)18-10-7(11(16)17)4-6(13)5-8(10)14;11-2-1-8(14)17-9-6(10(15)16)3-5(12)4-7(9)13;1-2-8(13)16-9-6(10(14)15)3-5(11)4-7(9)12;10-9(11,12)8(17)18-6-4(7(15)16)1-3(13)2-5(6)14;10-3-7(13)16-8-5(9(14)15)1-4(11)2-6(8)12;1-4(12)15-8-6(9(13)14)2-5(10)3-7(8)11;1-13-7-5(8(11)12)2-4(9)3-6(7)10/h4-5H,1-3H2,(H,27,28);3-4H,1-2H2,(H,26,27);1-2H,3H2,(H,25,26);2-3H,1H3,(H,18,19);4-5H,1-3H2,(H,16,17);3-4H,1-2H2,(H,15,16);3-4H,2H2,1H3,(H,14,15);1-2H,(H,15,16);1-2H,3H2,(H,14,15);2-3H,1H3,(H,13,14);2-3H,1H3,(H,11,12)/p-10.
What are the key properties of 2-acetyloxy-3,5-diiodobenzoate;3,5-diiodo-2-(2-iodoacetyl)oxybenzoate;3,5-diiodo-2-(4-iodobutanoyloxy)benzoate;3,5-diiodo-2-(3-iodopropanoyloxy)benzoate;3,5-diiodo-2-methoxybenzoate;3,5-diiodo-2-propanoyloxybenzoate;3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoate;2,3,5,6-tetrafluoro-4-[2-(2,3,5-triiodobenzoyl)oxyacetyl]oxybenzoic acid;2,3,5,6-tetrafluoro-4-[4-(2,3,5-triiodobenzoyl)oxybutanoyloxy]benzoate;2,3,5,6-tetrafluoro-4-[3-(2,3,5-triiodobenzoyl)oxypropanoyloxy]benzoate;2,3,5-triiodo-6-(3,3,3-trifluoro-2-methylpropanoyl)oxybenzoate?
2-acetyloxy-3,5-diiodobenzoate;3,5-diiodo-2-(2-iodoacetyl)oxybenzoate;3,5-diiodo-2-(4-iodobutanoyloxy)benzoate;3,5-diiodo-2-(3-iodopropanoyloxy)benzoate;3,5-diiodo-2-methoxybenzoate;3,5-diiodo-2-propanoyloxybenzoate;3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoate;2,3,5,6-tetrafluoro-4-[2-(2,3,5-triiodobenzoyl)oxyacetyl]oxybenzoic acid;2,3,5,6-tetrafluoro-4-[4-(2,3,5-triiodobenzoyl)oxybutanoyloxy]benzoate;2,3,5,6-tetrafluoro-4-[3-(2,3,5-triiodobenzoyl)oxypropanoyloxy]benzoate;2,3,5-triiodo-6-(3,3,3-trifluoro-2-methylpropanoyl)oxybenzoate has a molecular weight of 6405.03 g/mol, XLogP of 26.74, 42 rotatable bonds, 1 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxy-3,5-diiodobenzoate;3,5-diiodo-2-(2-iodoacetyl)oxybenzoate;3,5-diiodo-2-(4-iodobutanoyloxy)benzoate;3,5-diiodo-2-(3-iodopropanoyloxy)benzoate;3,5-diiodo-2-methoxybenzoate;3,5-diiodo-2-propanoyloxybenzoate;3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoate;2,3,5,6-tetrafluoro-4-[2-(2,3,5-triiodobenzoyl)oxyacetyl]oxybenzoic acid;2,3,5,6-tetrafluoro-4-[4-(2,3,5-triiodobenzoyl)oxybutanoyloxy]benzoate;2,3,5,6-tetrafluoro-4-[3-(2,3,5-triiodobenzoyl)oxypropanoyloxy]benzoate;2,3,5-triiodo-6-(3,3,3-trifluoro-2-methylpropanoyl)oxybenzoate is sourced from PubChem (CID 159119808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).