2-[2-(1-adamantyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(anthracene-9-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-benzoyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxybenzoyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(3-carboxynaphthalene-2-carbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-diphenylacetyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxybenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate

C140H124F27O52S9-9 — CID 159055056

IUPAC2-[2-(1-adamantyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(anthracene-9-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-benzoyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxybenzoyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(3-carboxynaphthalene-2-carbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-diphenylacetyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxybenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate
SMILESCC(CS(=O)(=O)[O-])(OC(=O)C(c1ccccc1)c1ccccc1)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)C1C2CC3C(OC(=O)C31)C2C12CC3CC(CC(C3)C1)C2)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1c2ccccc2cc2ccccc12)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1cc2ccccc2cc1C(=O)O)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1ccc2ccccc2c1)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1cccc2ccccc12)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1ccccc1)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1ccccc1C(=O)O)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1ccccc1O)C(F)(F)F
InChIInChI=1S/C23H29F3O7S.C19H15F3O5S.C18H17F3O5S.C16H13F3O7S.2C15H13F3O5S.C12H11F3O7S.C11H11F3O6S.C11H11F3O5S/c1-21(23(24,25)26,9-34(29,30)31)33-20(28)15-13-5-14-16(15)19(27)32-18(14)17(13)22-6-10-2-11(7-22)4-12(3-10)8-22;1-18(19(20,21)22,11-28(24,25)26)27-17(23)16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16;1-17(18(19,20)21,12-27(23,24)25)26-16(22)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-15(16(17,18)19,8-27(23,24)25)26-14(22)12-7-10-5-3-2-4-9(10)6-11(12)13(20)21;1-14(15(16,17)18,9-24(20,21)22)23-13(19)12-8-4-6-10-5-2-3-7-11(10)12;1-14(15(16,17)18,9-24(20,21)22)23-13(19)12-7-6-10-4-2-3-5-11(10)8-12;1-11(12(13,14)15,6-23(19,20)21)22-10(18)8-5-3-2-4-7(8)9(16)17;1-10(11(12,13)14,6-21(17,18)19)20-9(16)7-4-2-3-5-8(7)15;1-10(11(12,13)14,7-20(16,17)18)19-9(15)8-5-3-2-4-6-8/h10-18H,2-9H2,1H3,(H,29,30,31);2-10H,11H2,1H3,(H,24,25,26);2-11,15H,12H2,1H3,(H,23,24,25);2-7H,8H2,1H3,(H,20,21)(H,23,24,25);2*2-8H,9H2,1H3,(H,20,21,22);2-5H,6H2,1H3,(H,16,17)(H,19,20,21);2-5,15H,6H2,1H3,(H,17,18,19);2-6H,7H2,1H3,(H,16,17,18)/p-9
InChIKeyJXTDXBDLZOMMSD-UHFFFAOYSA-E
MW3440.03 g/mol
LogP23.10
Rot. Bonds41

About 2-[2-(1-adamantyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(anthracene-9-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-benzoyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxybenzoyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(3-carboxynaphthalene-2-carbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-diphenylacetyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxybenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate

2-[2-(1-adamantyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(anthracene-9-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-benzoyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxybenzoyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(3-carboxynaphthalene-2-carbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-diphenylacetyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxybenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate (PubChem CID 159055056) has the molecular formula C140H124F27O52S9-9 and a molecular weight of 3440.03 g/mol. Its IUPAC name is 2-[2-(1-adamantyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(anthracene-9-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-benzoyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxybenzoyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(3-carboxynaphthalene-2-carbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-diphenylacetyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxybenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate.

Molecular Properties

Compound Name2-[2-(1-adamantyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(anthracene-9-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-benzoyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxybenzoyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(3-carboxynaphthalene-2-carbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-diphenylacetyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxybenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate
PubChem CID159055056
Molecular FormulaC140H124F27O52S9-9
Molecular Weight3440.03 g/mol
Exact Mass3437.42
IUPAC Name2-[2-(1-adamantyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(anthracene-9-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-benzoyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxybenzoyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(3-carboxynaphthalene-2-carbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-diphenylacetyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxybenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate
SMILESCC(CS(=O)(=O)[O-])(OC(=O)C(c1ccccc1)c1ccccc1)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)C1C2CC3C(OC(=O)C31)C2C12CC3CC(CC(C3)C1)C2)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1c2ccccc2cc2ccccc12)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1cc2ccccc2cc1C(=O)O)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1ccc2ccccc2c1)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1cccc2ccccc12)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1ccccc1)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1ccccc1C(=O)O)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1ccccc1O)C(F)(F)F
InChIInChI=1S/C23H29F3O7S.C19H15F3O5S.C18H17F3O5S.C16H13F3O7S.2C15H13F3O5S.C12H11F3O7S.C11H11F3O6S.C11H11F3O5S/c1-21(23(24,25)26,9-34(29,30)31)33-20(28)15-13-5-14-16(15)19(27)32-18(14)17(13)22-6-10-2-11(7-22)4-12(3-10)8-22;1-18(19(20,21)22,11-28(24,25)26)27-17(23)16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16;1-17(18(19,20)21,12-27(23,24)25)26-16(22)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-15(16(17,18)19,8-27(23,24)25)26-14(22)12-7-10-5-3-2-4-9(10)6-11(12)13(20)21;1-14(15(16,17)18,9-24(20,21)22)23-13(19)12-8-4-6-10-5-2-3-7-11(10)12;1-14(15(16,17)18,9-24(20,21)22)23-13(19)12-7-6-10-4-2-3-5-11(10)8-12;1-11(12(13,14)15,6-23(19,20)21)22-10(18)8-5-3-2-4-7(8)9(16)17;1-10(11(12,13)14,6-21(17,18)19)20-9(16)7-4-2-3-5-8(7)15;1-10(11(12,13)14,7-20(16,17)18)19-9(15)8-5-3-2-4-6-8/h10-18H,2-9H2,1H3,(H,29,30,31);2-10H,11H2,1H3,(H,24,25,26);2-11,15H,12H2,1H3,(H,23,24,25);2-7H,8H2,1H3,(H,20,21)(H,23,24,25);2*2-8H,9H2,1H3,(H,20,21,22);2-5H,6H2,1H3,(H,16,17)(H,19,20,21);2-5,15H,6H2,1H3,(H,17,18,19);2-6H,7H2,1H3,(H,16,17,18)/p-9
InChIKeyJXTDXBDLZOMMSD-UHFFFAOYSA-E
XLogP23.10
TPSA872.63 Ų
H-Bond Donors3
H-Bond Acceptors50
Rotatable Bonds41
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003440.03
LogP ≤ 523.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-[2-(1-adamantyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(anthracene-9-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-benzoyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxybenzoyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(3-carboxynaphthalene-2-carbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-diphenylacetyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxybenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-adamantyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(anthracene-9-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-benzoyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxybenzoyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(3-carboxynaphthalene-2-carbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-diphenylacetyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxybenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate?
The IUPAC name of 2-[2-(1-adamantyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(anthracene-9-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-benzoyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxybenzoyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(3-carboxynaphthalene-2-carbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-diphenylacetyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxybenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate (CID 159055056) is 2-[2-(1-adamantyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(anthracene-9-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-benzoyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxybenzoyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(3-carboxynaphthalene-2-carbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-diphenylacetyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxybenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate.
What is the SMILES notation for 2-[2-(1-adamantyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(anthracene-9-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-benzoyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxybenzoyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(3-carboxynaphthalene-2-carbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-diphenylacetyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxybenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate?
The canonical SMILES for 2-[2-(1-adamantyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(anthracene-9-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-benzoyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxybenzoyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(3-carboxynaphthalene-2-carbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-diphenylacetyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxybenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate is CC(CS(=O)(=O)[O-])(OC(=O)C(c1ccccc1)c1ccccc1)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)C1C2CC3C(OC(=O)C31)C2C12CC3CC(CC(C3)C1)C2)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1c2ccccc2cc2ccccc12)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1cc2ccccc2cc1C(=O)O)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1ccc2ccccc2c1)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1cccc2ccccc12)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1ccccc1)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1ccccc1C(=O)O)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1ccccc1O)C(F)(F)F.
What is the InChIKey of 2-[2-(1-adamantyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(anthracene-9-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-benzoyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxybenzoyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(3-carboxynaphthalene-2-carbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-diphenylacetyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxybenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate?
The InChIKey is JXTDXBDLZOMMSD-UHFFFAOYSA-E. The full InChI is InChI=1S/C23H29F3O7S.C19H15F3O5S.C18H17F3O5S.C16H13F3O7S.2C15H13F3O5S.C12H11F3O7S.C11H11F3O6S.C11H11F3O5S/c1-21(23(24,25)26,9-34(29,30)31)33-20(28)15-13-5-14-16(15)19(27)32-18(14)17(13)22-6-10-2-11(7-22)4-12(3-10)8-22;1-18(19(20,21)22,11-28(24,25)26)27-17(23)16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16;1-17(18(19,20)21,12-27(23,24)25)26-16(22)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-15(16(17,18)19,8-27(23,24)25)26-14(22)12-7-10-5-3-2-4-9(10)6-11(12)13(20)21;1-14(15(16,17)18,9-24(20,21)22)23-13(19)12-8-4-6-10-5-2-3-7-11(10)12;1-14(15(16,17)18,9-24(20,21)22)23-13(19)12-7-6-10-4-2-3-5-11(10)8-12;1-11(12(13,14)15,6-23(19,20)21)22-10(18)8-5-3-2-4-7(8)9(16)17;1-10(11(12,13)14,6-21(17,18)19)20-9(16)7-4-2-3-5-8(7)15;1-10(11(12,13)14,7-20(16,17)18)19-9(15)8-5-3-2-4-6-8/h10-18H,2-9H2,1H3,(H,29,30,31);2-10H,11H2,1H3,(H,24,25,26);2-11,15H,12H2,1H3,(H,23,24,25);2-7H,8H2,1H3,(H,20,21)(H,23,24,25);2*2-8H,9H2,1H3,(H,20,21,22);2-5H,6H2,1H3,(H,16,17)(H,19,20,21);2-5,15H,6H2,1H3,(H,17,18,19);2-6H,7H2,1H3,(H,16,17,18)/p-9.
What are the key properties of 2-[2-(1-adamantyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(anthracene-9-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-benzoyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxybenzoyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(3-carboxynaphthalene-2-carbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-diphenylacetyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxybenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate?
2-[2-(1-adamantyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(anthracene-9-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-benzoyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxybenzoyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(3-carboxynaphthalene-2-carbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-diphenylacetyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxybenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate has a molecular weight of 3440.03 g/mol, XLogP of 23.10, 41 rotatable bonds, 3 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-adamantyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(anthracene-9-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-benzoyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxybenzoyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(3-carboxynaphthalene-2-carbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-diphenylacetyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxybenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate is sourced from PubChem (CID 159055056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).