2-(2-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(3-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(4-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[3-(3-methylbuta-1,3-dien-2-yloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-(2-methylprop-2-enoyloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-(2-methylprop-2-enoyloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-[4-(2-methylprop-2-enoyloxy)phenoxy]acetyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-(4-prop-2-enoyloxyphenoxy)acetyl]oxy-2-(trifluoromethyl)propane-1-sulfonate

C116H86F48O51S8-8 — CID 158755632

IUPAC2-(2-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(3-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(4-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[3-(3-methylbuta-1,3-dien-2-yloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-(2-methylprop-2-enoyloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-(2-methylprop-2-enoyloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-[4-(2-methylprop-2-enoyloxy)phenoxy]acetyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-(4-prop-2-enoyloxyphenoxy)acetyl]oxy-2-(trifluoromethyl)propane-1-sulfonate
SMILESC=C(C)C(=C)Oc1cccc(C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)c1.C=C(C)C(=O)Oc1ccc(C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)cc1.C=C(C)C(=O)Oc1ccc(OCC(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)cc1.C=C(C)C(=O)Oc1ccccc1C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F.C=CC(=O)Oc1ccc(OCC(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)cc1.C=Cc1ccc(C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)cc1.C=Cc1cccc(C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)c1.C=Cc1ccccc1C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H14F6O8S.C16H14F6O6S.C15H12F6O8S.2C15H12F6O7S.3C13H10F6O5S/c1-9(2)13(24)29-11-5-3-10(4-6-11)28-7-12(23)30-14(15(17,18)19,16(20,21)22)8-31(25,26)27;1-9(2)10(3)27-12-6-4-5-11(7-12)13(23)28-14(15(17,18)19,16(20,21)22)8-29(24,25)26;1-2-11(22)28-10-5-3-9(4-6-10)27-7-12(23)29-13(14(16,17)18,15(19,20)21)8-30(24,25)26;1-8(2)11(22)27-10-5-3-9(4-6-10)12(23)28-13(14(16,17)18,15(19,20)21)7-29(24,25)26;1-8(2)11(22)27-10-6-4-3-5-9(10)12(23)28-13(14(16,17)18,15(19,20)21)7-29(24,25)26;1-2-8-3-5-9(6-4-8)10(20)24-11(12(14,15)16,13(17,18)19)7-25(21,22)23;1-2-8-4-3-5-9(6-8)10(20)24-11(12(14,15)16,13(17,18)19)7-25(21,22)23;1-2-8-5-3-4-6-9(8)10(20)24-11(12(14,15)16,13(17,18)19)7-25(21,22)23/h3-6H,1,7-8H2,2H3,(H,25,26,27);4-7H,1,3,8H2,2H3,(H,24,25,26);2-6H,1,7-8H2,(H,24,25,26);2*3-6H,1,7H2,2H3,(H,24,25,26);3*2-6H,1,7H2,(H,21,22,23)/p-8
InChIKeyIOAQIDFHLVNOPP-UHFFFAOYSA-F
MW3464.35 g/mol
LogP22.48
Rot. Bonds50

About 2-(2-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(3-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(4-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[3-(3-methylbuta-1,3-dien-2-yloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-(2-methylprop-2-enoyloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-(2-methylprop-2-enoyloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-[4-(2-methylprop-2-enoyloxy)phenoxy]acetyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-(4-prop-2-enoyloxyphenoxy)acetyl]oxy-2-(trifluoromethyl)propane-1-sulfonate

2-(2-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(3-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(4-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[3-(3-methylbuta-1,3-dien-2-yloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-(2-methylprop-2-enoyloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-(2-methylprop-2-enoyloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-[4-(2-methylprop-2-enoyloxy)phenoxy]acetyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-(4-prop-2-enoyloxyphenoxy)acetyl]oxy-2-(trifluoromethyl)propane-1-sulfonate (PubChem CID 158755632) has the molecular formula C116H86F48O51S8-8 and a molecular weight of 3464.35 g/mol. Its IUPAC name is 2-(2-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(3-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(4-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[3-(3-methylbuta-1,3-dien-2-yloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-(2-methylprop-2-enoyloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-(2-methylprop-2-enoyloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-[4-(2-methylprop-2-enoyloxy)phenoxy]acetyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-(4-prop-2-enoyloxyphenoxy)acetyl]oxy-2-(trifluoromethyl)propane-1-sulfonate.

Molecular Properties

Compound Name2-(2-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(3-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(4-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[3-(3-methylbuta-1,3-dien-2-yloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-(2-methylprop-2-enoyloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-(2-methylprop-2-enoyloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-[4-(2-methylprop-2-enoyloxy)phenoxy]acetyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-(4-prop-2-enoyloxyphenoxy)acetyl]oxy-2-(trifluoromethyl)propane-1-sulfonate
PubChem CID158755632
Molecular FormulaC116H86F48O51S8-8
Molecular Weight3464.35 g/mol
Exact Mass3462.12
IUPAC Name2-(2-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(3-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(4-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[3-(3-methylbuta-1,3-dien-2-yloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-(2-methylprop-2-enoyloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-(2-methylprop-2-enoyloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-[4-(2-methylprop-2-enoyloxy)phenoxy]acetyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-(4-prop-2-enoyloxyphenoxy)acetyl]oxy-2-(trifluoromethyl)propane-1-sulfonate
SMILESC=C(C)C(=C)Oc1cccc(C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)c1.C=C(C)C(=O)Oc1ccc(C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)cc1.C=C(C)C(=O)Oc1ccc(OCC(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)cc1.C=C(C)C(=O)Oc1ccccc1C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F.C=CC(=O)Oc1ccc(OCC(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)cc1.C=Cc1ccc(C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)cc1.C=Cc1cccc(C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)c1.C=Cc1ccccc1C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H14F6O8S.C16H14F6O6S.C15H12F6O8S.2C15H12F6O7S.3C13H10F6O5S/c1-9(2)13(24)29-11-5-3-10(4-6-11)28-7-12(23)30-14(15(17,18)19,16(20,21)22)8-31(25,26)27;1-9(2)10(3)27-12-6-4-5-11(7-12)13(23)28-14(15(17,18)19,16(20,21)22)8-29(24,25)26;1-2-11(22)28-10-5-3-9(4-6-10)27-7-12(23)29-13(14(16,17)18,15(19,20)21)8-30(24,25)26;1-8(2)11(22)27-10-5-3-9(4-6-10)12(23)28-13(14(16,17)18,15(19,20)21)7-29(24,25)26;1-8(2)11(22)27-10-6-4-3-5-9(10)12(23)28-13(14(16,17)18,15(19,20)21)7-29(24,25)26;1-2-8-3-5-9(6-4-8)10(20)24-11(12(14,15)16,13(17,18)19)7-25(21,22)23;1-2-8-4-3-5-9(6-8)10(20)24-11(12(14,15)16,13(17,18)19)7-25(21,22)23;1-2-8-5-3-4-6-9(8)10(20)24-11(12(14,15)16,13(17,18)19)7-25(21,22)23/h3-6H,1,7-8H2,2H3,(H,25,26,27);4-7H,1,3,8H2,2H3,(H,24,25,26);2-6H,1,7-8H2,(H,24,25,26);2*3-6H,1,7H2,2H3,(H,24,25,26);3*2-6H,1,7H2,(H,21,22,23)/p-8
InChIKeyIOAQIDFHLVNOPP-UHFFFAOYSA-F
XLogP22.48
TPSA800.89 Ų
H-Bond Donors
H-Bond Acceptors51
Rotatable Bonds50
Heavy Atoms223
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003464.35
LogP ≤ 522.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-(2-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(3-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(4-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[3-(3-methylbuta-1,3-dien-2-yloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-(2-methylprop-2-enoyloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-(2-methylprop-2-enoyloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-[4-(2-methylprop-2-enoyloxy)phenoxy]acetyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-(4-prop-2-enoyloxyphenoxy)acetyl]oxy-2-(trifluoromethyl)propane-1-sulfonate with MolForge

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Related Compounds

Methyl 3-(4-fluorophenyl)-2,5-dimethoxy-6-[4-[(4-methylphenyl)methoxy]-3-methylsulfonyloxyphenyl]benzoate
CID 23539278
Methyl 2-(4-fluorophenyl)-3,6-dimethoxy-5-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)benzoate
CID 23539327
Methyl 3-(4-fluorophenyl)-2,5-dimethoxy-6-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)benzoate
CID 23539343
2-[2-(Trifluoromethyl)prop-2-enoyloxy]ethyl 2-ethoxy-5-[4-[4-(4-methylphenyl)benzoyl]oxybenzoyl]oxybenzoate
CID 58307821
3-[4-[5-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-2-methylbenzoyl]-3-(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid
CID 58693265
3-[4-[3-[5-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-2-methylbenzoyl]-4-[3-(trioxidanylsulfanyl)propoxy]phenoxy]phenoxy]propane-1-sulfonic acid
CID 59729843
[4-[2-Methyl-4-(4-prop-2-enoyloxybutoxy)-3-(trifluoromethyl)benzoyl]oxy-3-phenylmethoxycarbonylphenyl] 4-(1-hydroxy-4-prop-2-enoyloxybutyl)-3-methyl-2-(trifluoromethyl)benzoate;[3-[[4-(trifluoromethoxy)phenyl]methoxycarbonyl]-4-[2,3,6-trimethyl-4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(1-hydroxy-3-prop-2-enoyloxypropyl)-2,3,6-trimethylbenzoate
CID 123687992
Tert-butyl 6-[[3-(2-methoxy-1-oxo-1-prop-2-enoxypropan-2-yl)-4-phenylphenoxy]methyl]-2-prop-2-enoxy-3-(trifluoromethyl)benzoate
CID 141604618
[8-(4-Ethylbenzoyl)oxy-1-formyloxy-4-[2-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)ethyl]oct-3-en-3-yl] 5-(2-benzoyloxyethyl)-4-[2-(4-butanoyloxybenzoyl)oxyethyl]-2-methoxy-3-(2,2,2-trifluoroacetyl)oxybenzoate
CID 152628146
methyl 3-ethyl-4-[2-[3-(trifluoromethylsulfonyloxy)-1H-inden-4-yl]ethyl]-2-[2-[4-[3-(trifluoromethylsulfonyloxy)-1H-inden-4-yl]phenoxy]acetyl]oxybenzoate
CID 155658652
CID 157086874
CID 157086874
CID 157177008
CID 157177008

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(3-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(4-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[3-(3-methylbuta-1,3-dien-2-yloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-(2-methylprop-2-enoyloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-(2-methylprop-2-enoyloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-[4-(2-methylprop-2-enoyloxy)phenoxy]acetyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-(4-prop-2-enoyloxyphenoxy)acetyl]oxy-2-(trifluoromethyl)propane-1-sulfonate?
The IUPAC name of 2-(2-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(3-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(4-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[3-(3-methylbuta-1,3-dien-2-yloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-(2-methylprop-2-enoyloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-(2-methylprop-2-enoyloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-[4-(2-methylprop-2-enoyloxy)phenoxy]acetyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-(4-prop-2-enoyloxyphenoxy)acetyl]oxy-2-(trifluoromethyl)propane-1-sulfonate (CID 158755632) is 2-(2-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(3-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(4-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[3-(3-methylbuta-1,3-dien-2-yloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-(2-methylprop-2-enoyloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-(2-methylprop-2-enoyloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-[4-(2-methylprop-2-enoyloxy)phenoxy]acetyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-(4-prop-2-enoyloxyphenoxy)acetyl]oxy-2-(trifluoromethyl)propane-1-sulfonate.
What is the SMILES notation for 2-(2-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(3-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(4-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[3-(3-methylbuta-1,3-dien-2-yloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-(2-methylprop-2-enoyloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-(2-methylprop-2-enoyloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-[4-(2-methylprop-2-enoyloxy)phenoxy]acetyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-(4-prop-2-enoyloxyphenoxy)acetyl]oxy-2-(trifluoromethyl)propane-1-sulfonate?
The canonical SMILES for 2-(2-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(3-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(4-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[3-(3-methylbuta-1,3-dien-2-yloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-(2-methylprop-2-enoyloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-(2-methylprop-2-enoyloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-[4-(2-methylprop-2-enoyloxy)phenoxy]acetyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-(4-prop-2-enoyloxyphenoxy)acetyl]oxy-2-(trifluoromethyl)propane-1-sulfonate is C=C(C)C(=C)Oc1cccc(C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)c1.C=C(C)C(=O)Oc1ccc(C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)cc1.C=C(C)C(=O)Oc1ccc(OCC(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)cc1.C=C(C)C(=O)Oc1ccccc1C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F.C=CC(=O)Oc1ccc(OCC(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)cc1.C=Cc1ccc(C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)cc1.C=Cc1cccc(C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)c1.C=Cc1ccccc1C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(2-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(3-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(4-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[3-(3-methylbuta-1,3-dien-2-yloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-(2-methylprop-2-enoyloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-(2-methylprop-2-enoyloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-[4-(2-methylprop-2-enoyloxy)phenoxy]acetyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-(4-prop-2-enoyloxyphenoxy)acetyl]oxy-2-(trifluoromethyl)propane-1-sulfonate?
The InChIKey is IOAQIDFHLVNOPP-UHFFFAOYSA-F. The full InChI is InChI=1S/C16H14F6O8S.C16H14F6O6S.C15H12F6O8S.2C15H12F6O7S.3C13H10F6O5S/c1-9(2)13(24)29-11-5-3-10(4-6-11)28-7-12(23)30-14(15(17,18)19,16(20,21)22)8-31(25,26)27;1-9(2)10(3)27-12-6-4-5-11(7-12)13(23)28-14(15(17,18)19,16(20,21)22)8-29(24,25)26;1-2-11(22)28-10-5-3-9(4-6-10)27-7-12(23)29-13(14(16,17)18,15(19,20)21)8-30(24,25)26;1-8(2)11(22)27-10-5-3-9(4-6-10)12(23)28-13(14(16,17)18,15(19,20)21)7-29(24,25)26;1-8(2)11(22)27-10-6-4-3-5-9(10)12(23)28-13(14(16,17)18,15(19,20)21)7-29(24,25)26;1-2-8-3-5-9(6-4-8)10(20)24-11(12(14,15)16,13(17,18)19)7-25(21,22)23;1-2-8-4-3-5-9(6-8)10(20)24-11(12(14,15)16,13(17,18)19)7-25(21,22)23;1-2-8-5-3-4-6-9(8)10(20)24-11(12(14,15)16,13(17,18)19)7-25(21,22)23/h3-6H,1,7-8H2,2H3,(H,25,26,27);4-7H,1,3,8H2,2H3,(H,24,25,26);2-6H,1,7-8H2,(H,24,25,26);2*3-6H,1,7H2,2H3,(H,24,25,26);3*2-6H,1,7H2,(H,21,22,23)/p-8.
What are the key properties of 2-(2-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(3-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(4-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[3-(3-methylbuta-1,3-dien-2-yloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-(2-methylprop-2-enoyloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-(2-methylprop-2-enoyloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-[4-(2-methylprop-2-enoyloxy)phenoxy]acetyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-(4-prop-2-enoyloxyphenoxy)acetyl]oxy-2-(trifluoromethyl)propane-1-sulfonate?
2-(2-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(3-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(4-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[3-(3-methylbuta-1,3-dien-2-yloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-(2-methylprop-2-enoyloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-(2-methylprop-2-enoyloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-[4-(2-methylprop-2-enoyloxy)phenoxy]acetyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-(4-prop-2-enoyloxyphenoxy)acetyl]oxy-2-(trifluoromethyl)propane-1-sulfonate has a molecular weight of 3464.35 g/mol, XLogP of 22.48, 50 rotatable bonds, 0 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(3-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(4-ethenylbenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[3-(3-methylbuta-1,3-dien-2-yloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-(2-methylprop-2-enoyloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-(2-methylprop-2-enoyloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-[4-(2-methylprop-2-enoyloxy)phenoxy]acetyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-(4-prop-2-enoyloxyphenoxy)acetyl]oxy-2-(trifluoromethyl)propane-1-sulfonate is sourced from PubChem (CID 158755632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).