1,1-difluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxyethanesulfonate;tetrakis(triphenylsulfanium)

C135H134F8O30S8 — CID 157292209

IUPAC1,1-difluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxyethanesulfonate;tetrakis(triphenylsulfanium)
SMILESC=C(C)C(=O)OC12CC3CC(C1)C(C(=O)OCC(F)(F)S(=O)(=O)[O-])C(C3)C2.C=C(C)C(=O)OC12CC3CC(C1)CC(C(=O)OCC(F)(F)S(=O)(=O)[O-])(C3)C2.C=C(C)C(=O)OC1C2CC3C(OC(=O)C31)C2C(=O)OCC(F)(F)S(=O)(=O)[O-].C=C(C)C(=O)OC1CC2CC(C(=O)OCC(F)(F)S(=O)(=O)[O-])C1C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15S.2C17H22F2O7S.C15H16F2O9S.C14H18F2O7S/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10(2)13(20)26-16-6-11-3-12(7-16)5-15(4-11,8-16)14(21)25-9-17(18,19)27(22,23)24;1-9(2)14(20)26-16-5-10-3-11(6-16)13(12(4-10)7-16)15(21)25-8-17(18,19)27(22,23)24;1-5(2)12(18)25-11-6-3-7-9(11)14(20)26-10(7)8(6)13(19)24-4-15(16,17)27(21,22)23;1-7(2)12(17)23-11-5-8-3-9(11)10(4-8)13(18)22-6-14(15,16)24(19,20)21/h4*1-15H;11-12H,1,3-9H2,2H3,(H,22,23,24);10-13H,1,3-8H2,2H3,(H,22,23,24);6-11H,1,3-4H2,2H3,(H,21,22,23);8-11H,1,3-6H2,2H3,(H,19,20,21)/q4*+1;;;;/p-4
InChIKeyBAXZFNWUEQLSNG-UHFFFAOYSA-J
MW2645.05 g/mol
LogP24.40
Rot. Bonds36

About 1,1-difluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxyethanesulfonate;tetrakis(triphenylsulfanium)

1,1-difluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxyethanesulfonate;tetrakis(triphenylsulfanium) (PubChem CID 157292209) has the molecular formula C135H134F8O30S8 and a molecular weight of 2645.05 g/mol. Its IUPAC name is 1,1-difluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxyethanesulfonate;tetrakis(triphenylsulfanium).

Molecular Properties

Compound Name1,1-difluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxyethanesulfonate;tetrakis(triphenylsulfanium)
PubChem CID157292209
Molecular FormulaC135H134F8O30S8
Molecular Weight2645.05 g/mol
Exact Mass2642.66
IUPAC Name1,1-difluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxyethanesulfonate;tetrakis(triphenylsulfanium)
SMILESC=C(C)C(=O)OC12CC3CC(C1)C(C(=O)OCC(F)(F)S(=O)(=O)[O-])C(C3)C2.C=C(C)C(=O)OC12CC3CC(C1)CC(C(=O)OCC(F)(F)S(=O)(=O)[O-])(C3)C2.C=C(C)C(=O)OC1C2CC3C(OC(=O)C31)C2C(=O)OCC(F)(F)S(=O)(=O)[O-].C=C(C)C(=O)OC1CC2CC(C(=O)OCC(F)(F)S(=O)(=O)[O-])C1C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15S.2C17H22F2O7S.C15H16F2O9S.C14H18F2O7S/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10(2)13(20)26-16-6-11-3-12(7-16)5-15(4-11,8-16)14(21)25-9-17(18,19)27(22,23)24;1-9(2)14(20)26-16-5-10-3-11(6-16)13(12(4-10)7-16)15(21)25-8-17(18,19)27(22,23)24;1-5(2)12(18)25-11-6-3-7-9(11)14(20)26-10(7)8(6)13(19)24-4-15(16,17)27(21,22)23;1-7(2)12(17)23-11-5-8-3-9(11)10(4-8)13(18)22-6-14(15,16)24(19,20)21/h4*1-15H;11-12H,1,3-9H2,2H3,(H,22,23,24);10-13H,1,3-8H2,2H3,(H,22,23,24);6-11H,1,3-4H2,2H3,(H,21,22,23);8-11H,1,3-6H2,2H3,(H,19,20,21)/q4*+1;;;;/p-4
InChIKeyBAXZFNWUEQLSNG-UHFFFAOYSA-J
XLogP24.40
TPSA465.50 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds36
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002645.05
LogP ≤ 524.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 1,1-difluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxyethanesulfonate;tetrakis(triphenylsulfanium) with MolForge

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Related Compounds

[1-[Dihydroxy-oxo-(triphenyl-lambda4-sulfanyl)-lambda6-sulfanyl]-1,1,3,3,3-pentafluoropropan-2-yl] 9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxylate
CID 123157635
1,1-Difluoro-2-[2-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethanesulfonate;1,1,2,2-tetrafluoro-2-[5-(2-methylprop-2-enoyloxy)-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;1,1,2,2-tetrafluoro-3-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxypropane-1-sulfonate;1,1,2,2-tetrafluoro-5-(2-methylprop-2-enoyloxy)pentane-1-sulfonate;tetrakis(triphenylsulfanium)
CID 157069551
2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;2-[4-(7,12-diacetyloxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);2-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;pentakis(triphenylsulfanium)
CID 157072954
CID 157136466
CID 157136466
2-Acetyloxy-1,1-difluoropropane-1-sulfonate;2-(2-acetyloxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1-difluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-[2-(1-adamantyl)acetyl]oxy-1,1-difluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(cyclohex-3-ene-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-(3-hydroxyadamantane-1-carbonyl)oxypropane-1-sulfonate;1,1-difluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoropropane-1-sulfonate;decakis(triphenylsulfanium)
CID 157138729
2-[2-(1-Adamantyl)propan-2-yloxy]-1,1-difluoro-2-oxoethanesulfonate;(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]ethanesulfonate;(4-methylphenyl)-diphenylsulfanium;bis(triphenylsulfanium)
CID 157170259
2-(Adamantane-1-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;1,1,2-trifluoro-3-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;1,1,2-trifluoro-4-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]butane-1-sulfonate;1,1,2-trifluoro-3-(8-tricyclo[5.2.1.02,6]decanyloxy)propane-1-sulfonate;pentakis(triphenylsulfanium)
CID 157176905
2-(1-Adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[[3-(hydroxymethyl)-1-adamantyl]methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethanesulfonate;2-[(3,5-dihydroxy-1-adamantyl)oxy]-1,1-difluoro-2-oxoethanesulfonate;octakis(triphenylsulfanium)
CID 157179493
Bis(1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate);1,1-difluoro-2-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[(5-oxo-4-oxatricyclo[4.3.1.03,7]decan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[(5-oxo-4-oxatricyclo[5.2.1.03,8]decan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;pentakis((4-methylphenyl)-diphenylsulfanium);4-oxatricyclo[5.2.1.02,6]decan-3-one;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one
CID 157196162
bis(2-[3-acetyl-5-hydroxy-6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate);1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxypropane-1-sulfonate;5-phenyldibenzothiophen-5-ium;tris(10-phenyl-9H-thioxanthen-10-ium)
CID 157206122
2-(2-Acetyloxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(1-adamantyl)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohex-3-ene-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;nonakis(triphenylsulfanium)
CID 157208887
2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-(7,12-diacetyloxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;pentakis(triphenylsulfanium)
CID 157221277

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxyethanesulfonate;tetrakis(triphenylsulfanium)?
The IUPAC name of 1,1-difluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxyethanesulfonate;tetrakis(triphenylsulfanium) (CID 157292209) is 1,1-difluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxyethanesulfonate;tetrakis(triphenylsulfanium).
What is the SMILES notation for 1,1-difluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxyethanesulfonate;tetrakis(triphenylsulfanium)?
The canonical SMILES for 1,1-difluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxyethanesulfonate;tetrakis(triphenylsulfanium) is C=C(C)C(=O)OC12CC3CC(C1)C(C(=O)OCC(F)(F)S(=O)(=O)[O-])C(C3)C2.C=C(C)C(=O)OC12CC3CC(C1)CC(C(=O)OCC(F)(F)S(=O)(=O)[O-])(C3)C2.C=C(C)C(=O)OC1C2CC3C(OC(=O)C31)C2C(=O)OCC(F)(F)S(=O)(=O)[O-].C=C(C)C(=O)OC1CC2CC(C(=O)OCC(F)(F)S(=O)(=O)[O-])C1C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1,1-difluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxyethanesulfonate;tetrakis(triphenylsulfanium)?
The InChIKey is BAXZFNWUEQLSNG-UHFFFAOYSA-J. The full InChI is InChI=1S/4C18H15S.2C17H22F2O7S.C15H16F2O9S.C14H18F2O7S/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10(2)13(20)26-16-6-11-3-12(7-16)5-15(4-11,8-16)14(21)25-9-17(18,19)27(22,23)24;1-9(2)14(20)26-16-5-10-3-11(6-16)13(12(4-10)7-16)15(21)25-8-17(18,19)27(22,23)24;1-5(2)12(18)25-11-6-3-7-9(11)14(20)26-10(7)8(6)13(19)24-4-15(16,17)27(21,22)23;1-7(2)12(17)23-11-5-8-3-9(11)10(4-8)13(18)22-6-14(15,16)24(19,20)21/h4*1-15H;11-12H,1,3-9H2,2H3,(H,22,23,24);10-13H,1,3-8H2,2H3,(H,22,23,24);6-11H,1,3-4H2,2H3,(H,21,22,23);8-11H,1,3-6H2,2H3,(H,19,20,21)/q4*+1;;;;/p-4.
What are the key properties of 1,1-difluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxyethanesulfonate;tetrakis(triphenylsulfanium)?
1,1-difluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxyethanesulfonate;tetrakis(triphenylsulfanium) has a molecular weight of 2645.05 g/mol, XLogP of 24.40, 36 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxyethanesulfonate;tetrakis(triphenylsulfanium) is sourced from PubChem (CID 157292209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).