2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;2-(2-cyclohexylpropan-2-yloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxycyclopentyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-hydroxy-2-oxoethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methyl-2-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(3-oxo-2-bicyclo[2.2.1]heptanyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-phenoxyethanesulfonate;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonate;1,1-difluoro-2-oxo-2-propan-2-yloxyethanesulfonate;2-dodecoxy-1,1-difluoro-2-oxoethanesulfonate;2-(2-ethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;tetradecakis(triphenylsulfanium)

C371H366F28O73S28 — CID 159604682

IUPAC2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;2-(2-cyclohexylpropan-2-yloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxycyclopentyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-hydroxy-2-oxoethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methyl-2-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(3-oxo-2-bicyclo[2.2.1]heptanyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-phenoxyethanesulfonate;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonate;1,1-difluoro-2-oxo-2-propan-2-yloxyethanesulfonate;2-dodecoxy-1,1-difluoro-2-oxoethanesulfonate;2-(2-ethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;tetradecakis(triphenylsulfanium)
SMILESCC(C)(OC(=O)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.CC(C)OC(=O)C(F)(F)S(=O)(=O)[O-].CC1(OC(=O)C(F)(F)S(=O)(=O)[O-])C2CC3CC(C2)CC1C3.CCCCC(CC)COC(=O)C(F)(F)S(=O)(=O)[O-].CCCCCCCCCCCCOC(=O)C(F)(F)S(=O)(=O)[O-].CCCCCCOC(=O)C(F)(F)S(=O)(=O)[O-].COC(=O)C(F)(F)S(=O)(=O)[O-].O=C(O)C(F)(F)S(=O)(=O)[O-].O=C(OC1C2CC3CC(C2)CC1C3)C(F)(F)S(=O)(=O)[O-].O=C(OC1CCC(O)C1)C(F)(F)S(=O)(=O)[O-].O=C(OC1CCCCC1O)C(F)(F)S(=O)(=O)[O-].O=C(OCc1ccccc1)C(F)(F)S(=O)(=O)[O-].O=C(Oc1ccccc1)C(F)(F)S(=O)(=O)[O-].O=C1C2CCC(C2)C1OC(=O)C(F)(F)S(=O)(=O)[O-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/14C18H15S.C14H26F2O5S.C13H18F2O5S.C12H16F2O5S.C11H18F2O5S.C10H18F2O5S.C9H10F2O6S.C9H8F2O5S.C8H12F2O6S.C8H6F2O5S.C8H14F2O5S.C7H10F2O6S.C5H8F2O5S.C3H4F2O5S.C2H2F2O5S/c14*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-4-5-6-7-8-9-10-11-12-21-13(17)14(15,16)22(18,19)20;1-12(20-11(16)13(14,15)21(17,18)19)9-3-7-2-8(5-9)6-10(12)4-7;13-12(14,20(16,17)18)11(15)19-10-8-2-6-1-7(4-8)5-9(10)3-6;1-10(2,8-6-4-3-5-7-8)18-9(14)11(12,13)19(15,16)17;1-3-5-6-8(4-2)7-17-9(13)10(11,12)18(14,15)16;10-9(11,18(14,15)16)8(13)17-7-5-2-1-4(3-5)6(7)12;10-9(11,17(13,14)15)8(12)16-6-7-4-2-1-3-5-7;9-8(10,17(13,14)15)7(12)16-6-4-2-1-3-5(6)11;9-8(10,16(12,13)14)7(11)15-6-4-2-1-3-5-6;1-2-3-4-5-6-15-7(11)8(9,10)16(12,13)14;8-7(9,16(12,13)14)6(11)15-5-2-1-4(10)3-5;1-3(2)12-4(8)5(6,7)13(9,10)11;1-10-2(6)3(4,5)11(7,8)9;3-2(4,1(5)6)10(7,8)9/h14*1-15H;2-12H2,1H3,(H,18,19,20);7-10H,2-6H2,1H3,(H,17,18,19);6-10H,1-5H2,(H,16,17,18);8H,3-7H2,1-2H3,(H,15,16,17);8H,3-7H2,1-2H3,(H,14,15,16);4-5,7H,1-3H2,(H,14,15,16);1-5H,6H2,(H,13,14,15);5-6,11H,1-4H2,(H,13,14,15);1-5H,(H,12,13,14);2-6H2,1H3,(H,12,13,14);4-5,10H,1-3H2,(H,12,13,14);3H,1-2H3,(H,9,10,11);1H3,(H,7,8,9);(H,5,6)(H,7,8,9)/q14*+1;;;;;;;;;;;;;;/p-14
InChIKeyMLXVVISWFLDJDL-UHFFFAOYSA-A
MW7422.76 g/mol
LogP78.84
Rot. Bonds103

About 2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;2-(2-cyclohexylpropan-2-yloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxycyclopentyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-hydroxy-2-oxoethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methyl-2-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(3-oxo-2-bicyclo[2.2.1]heptanyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-phenoxyethanesulfonate;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonate;1,1-difluoro-2-oxo-2-propan-2-yloxyethanesulfonate;2-dodecoxy-1,1-difluoro-2-oxoethanesulfonate;2-(2-ethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;tetradecakis(triphenylsulfanium)

2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;2-(2-cyclohexylpropan-2-yloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxycyclopentyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-hydroxy-2-oxoethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methyl-2-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(3-oxo-2-bicyclo[2.2.1]heptanyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-phenoxyethanesulfonate;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonate;1,1-difluoro-2-oxo-2-propan-2-yloxyethanesulfonate;2-dodecoxy-1,1-difluoro-2-oxoethanesulfonate;2-(2-ethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;tetradecakis(triphenylsulfanium) (PubChem CID 159604682) has the molecular formula C371H366F28O73S28 and a molecular weight of 7422.76 g/mol. Its IUPAC name is 2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;2-(2-cyclohexylpropan-2-yloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxycyclopentyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-hydroxy-2-oxoethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methyl-2-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(3-oxo-2-bicyclo[2.2.1]heptanyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-phenoxyethanesulfonate;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonate;1,1-difluoro-2-oxo-2-propan-2-yloxyethanesulfonate;2-dodecoxy-1,1-difluoro-2-oxoethanesulfonate;2-(2-ethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;tetradecakis(triphenylsulfanium).

Molecular Properties

Compound Name2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;2-(2-cyclohexylpropan-2-yloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxycyclopentyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-hydroxy-2-oxoethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methyl-2-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(3-oxo-2-bicyclo[2.2.1]heptanyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-phenoxyethanesulfonate;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonate;1,1-difluoro-2-oxo-2-propan-2-yloxyethanesulfonate;2-dodecoxy-1,1-difluoro-2-oxoethanesulfonate;2-(2-ethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;tetradecakis(triphenylsulfanium)
PubChem CID159604682
Molecular FormulaC371H366F28O73S28
Molecular Weight7422.76 g/mol
Exact Mass7415.67
IUPAC Name2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;2-(2-cyclohexylpropan-2-yloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxycyclopentyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-hydroxy-2-oxoethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methyl-2-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(3-oxo-2-bicyclo[2.2.1]heptanyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-phenoxyethanesulfonate;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonate;1,1-difluoro-2-oxo-2-propan-2-yloxyethanesulfonate;2-dodecoxy-1,1-difluoro-2-oxoethanesulfonate;2-(2-ethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;tetradecakis(triphenylsulfanium)
SMILESCC(C)(OC(=O)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.CC(C)OC(=O)C(F)(F)S(=O)(=O)[O-].CC1(OC(=O)C(F)(F)S(=O)(=O)[O-])C2CC3CC(C2)CC1C3.CCCCC(CC)COC(=O)C(F)(F)S(=O)(=O)[O-].CCCCCCCCCCCCOC(=O)C(F)(F)S(=O)(=O)[O-].CCCCCCOC(=O)C(F)(F)S(=O)(=O)[O-].COC(=O)C(F)(F)S(=O)(=O)[O-].O=C(O)C(F)(F)S(=O)(=O)[O-].O=C(OC1C2CC3CC(C2)CC1C3)C(F)(F)S(=O)(=O)[O-].O=C(OC1CCC(O)C1)C(F)(F)S(=O)(=O)[O-].O=C(OC1CCCCC1O)C(F)(F)S(=O)(=O)[O-].O=C(OCc1ccccc1)C(F)(F)S(=O)(=O)[O-].O=C(Oc1ccccc1)C(F)(F)S(=O)(=O)[O-].O=C1C2CCC(C2)C1OC(=O)C(F)(F)S(=O)(=O)[O-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/14C18H15S.C14H26F2O5S.C13H18F2O5S.C12H16F2O5S.C11H18F2O5S.C10H18F2O5S.C9H10F2O6S.C9H8F2O5S.C8H12F2O6S.C8H6F2O5S.C8H14F2O5S.C7H10F2O6S.C5H8F2O5S.C3H4F2O5S.C2H2F2O5S/c14*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-4-5-6-7-8-9-10-11-12-21-13(17)14(15,16)22(18,19)20;1-12(20-11(16)13(14,15)21(17,18)19)9-3-7-2-8(5-9)6-10(12)4-7;13-12(14,20(16,17)18)11(15)19-10-8-2-6-1-7(4-8)5-9(10)3-6;1-10(2,8-6-4-3-5-7-8)18-9(14)11(12,13)19(15,16)17;1-3-5-6-8(4-2)7-17-9(13)10(11,12)18(14,15)16;10-9(11,18(14,15)16)8(13)17-7-5-2-1-4(3-5)6(7)12;10-9(11,17(13,14)15)8(12)16-6-7-4-2-1-3-5-7;9-8(10,17(13,14)15)7(12)16-6-4-2-1-3-5(6)11;9-8(10,16(12,13)14)7(11)15-6-4-2-1-3-5-6;1-2-3-4-5-6-15-7(11)8(9,10)16(12,13)14;8-7(9,16(12,13)14)6(11)15-5-2-1-4(10)3-5;1-3(2)12-4(8)5(6,7)13(9,10)11;1-10-2(6)3(4,5)11(7,8)9;3-2(4,1(5)6)10(7,8)9/h14*1-15H;2-12H2,1H3,(H,18,19,20);7-10H,2-6H2,1H3,(H,17,18,19);6-10H,1-5H2,(H,16,17,18);8H,3-7H2,1-2H3,(H,15,16,17);8H,3-7H2,1-2H3,(H,14,15,16);4-5,7H,1-3H2,(H,14,15,16);1-5H,6H2,(H,13,14,15);5-6,11H,1-4H2,(H,13,14,15);1-5H,(H,12,13,14);2-6H2,1H3,(H,12,13,14);4-5,10H,1-3H2,(H,12,13,14);3H,1-2H3,(H,9,10,11);1H3,(H,7,8,9);(H,5,6)(H,7,8,9)/q14*+1;;;;;;;;;;;;;;/p-14
InChIKeyMLXVVISWFLDJDL-UHFFFAOYSA-A
XLogP78.84
TPSA1237.53 Ų
H-Bond Donors3
H-Bond Acceptors72
Rotatable Bonds103
Heavy Atoms500
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5007422.76
LogP ≤ 578.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1072

Analyze 2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;2-(2-cyclohexylpropan-2-yloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxycyclopentyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-hydroxy-2-oxoethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methyl-2-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(3-oxo-2-bicyclo[2.2.1]heptanyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-phenoxyethanesulfonate;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonate;1,1-difluoro-2-oxo-2-propan-2-yloxyethanesulfonate;2-dodecoxy-1,1-difluoro-2-oxoethanesulfonate;2-(2-ethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;tetradecakis(triphenylsulfanium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;2-(2-cyclohexylpropan-2-yloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxycyclopentyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-hydroxy-2-oxoethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methyl-2-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(3-oxo-2-bicyclo[2.2.1]heptanyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-phenoxyethanesulfonate;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonate;1,1-difluoro-2-oxo-2-propan-2-yloxyethanesulfonate;2-dodecoxy-1,1-difluoro-2-oxoethanesulfonate;2-(2-ethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;tetradecakis(triphenylsulfanium)?
The IUPAC name of 2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;2-(2-cyclohexylpropan-2-yloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxycyclopentyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-hydroxy-2-oxoethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methyl-2-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(3-oxo-2-bicyclo[2.2.1]heptanyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-phenoxyethanesulfonate;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonate;1,1-difluoro-2-oxo-2-propan-2-yloxyethanesulfonate;2-dodecoxy-1,1-difluoro-2-oxoethanesulfonate;2-(2-ethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;tetradecakis(triphenylsulfanium) (CID 159604682) is 2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;2-(2-cyclohexylpropan-2-yloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxycyclopentyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-hydroxy-2-oxoethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methyl-2-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(3-oxo-2-bicyclo[2.2.1]heptanyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-phenoxyethanesulfonate;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonate;1,1-difluoro-2-oxo-2-propan-2-yloxyethanesulfonate;2-dodecoxy-1,1-difluoro-2-oxoethanesulfonate;2-(2-ethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;tetradecakis(triphenylsulfanium).
What is the SMILES notation for 2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;2-(2-cyclohexylpropan-2-yloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxycyclopentyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-hydroxy-2-oxoethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methyl-2-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(3-oxo-2-bicyclo[2.2.1]heptanyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-phenoxyethanesulfonate;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonate;1,1-difluoro-2-oxo-2-propan-2-yloxyethanesulfonate;2-dodecoxy-1,1-difluoro-2-oxoethanesulfonate;2-(2-ethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;tetradecakis(triphenylsulfanium)?
The canonical SMILES for 2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;2-(2-cyclohexylpropan-2-yloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxycyclopentyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-hydroxy-2-oxoethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methyl-2-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(3-oxo-2-bicyclo[2.2.1]heptanyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-phenoxyethanesulfonate;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonate;1,1-difluoro-2-oxo-2-propan-2-yloxyethanesulfonate;2-dodecoxy-1,1-difluoro-2-oxoethanesulfonate;2-(2-ethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;tetradecakis(triphenylsulfanium) is CC(C)(OC(=O)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.CC(C)OC(=O)C(F)(F)S(=O)(=O)[O-].CC1(OC(=O)C(F)(F)S(=O)(=O)[O-])C2CC3CC(C2)CC1C3.CCCCC(CC)COC(=O)C(F)(F)S(=O)(=O)[O-].CCCCCCCCCCCCOC(=O)C(F)(F)S(=O)(=O)[O-].CCCCCCOC(=O)C(F)(F)S(=O)(=O)[O-].COC(=O)C(F)(F)S(=O)(=O)[O-].O=C(O)C(F)(F)S(=O)(=O)[O-].O=C(OC1C2CC3CC(C2)CC1C3)C(F)(F)S(=O)(=O)[O-].O=C(OC1CCC(O)C1)C(F)(F)S(=O)(=O)[O-].O=C(OC1CCCCC1O)C(F)(F)S(=O)(=O)[O-].O=C(OCc1ccccc1)C(F)(F)S(=O)(=O)[O-].O=C(Oc1ccccc1)C(F)(F)S(=O)(=O)[O-].O=C1C2CCC(C2)C1OC(=O)C(F)(F)S(=O)(=O)[O-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.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 2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;2-(2-cyclohexylpropan-2-yloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxycyclopentyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-hydroxy-2-oxoethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methyl-2-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(3-oxo-2-bicyclo[2.2.1]heptanyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-phenoxyethanesulfonate;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonate;1,1-difluoro-2-oxo-2-propan-2-yloxyethanesulfonate;2-dodecoxy-1,1-difluoro-2-oxoethanesulfonate;2-(2-ethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;tetradecakis(triphenylsulfanium)?
The InChIKey is MLXVVISWFLDJDL-UHFFFAOYSA-A. The full InChI is InChI=1S/14C18H15S.C14H26F2O5S.C13H18F2O5S.C12H16F2O5S.C11H18F2O5S.C10H18F2O5S.C9H10F2O6S.C9H8F2O5S.C8H12F2O6S.C8H6F2O5S.C8H14F2O5S.C7H10F2O6S.C5H8F2O5S.C3H4F2O5S.C2H2F2O5S/c14*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-4-5-6-7-8-9-10-11-12-21-13(17)14(15,16)22(18,19)20;1-12(20-11(16)13(14,15)21(17,18)19)9-3-7-2-8(5-9)6-10(12)4-7;13-12(14,20(16,17)18)11(15)19-10-8-2-6-1-7(4-8)5-9(10)3-6;1-10(2,8-6-4-3-5-7-8)18-9(14)11(12,13)19(15,16)17;1-3-5-6-8(4-2)7-17-9(13)10(11,12)18(14,15)16;10-9(11,18(14,15)16)8(13)17-7-5-2-1-4(3-5)6(7)12;10-9(11,17(13,14)15)8(12)16-6-7-4-2-1-3-5-7;9-8(10,17(13,14)15)7(12)16-6-4-2-1-3-5(6)11;9-8(10,16(12,13)14)7(11)15-6-4-2-1-3-5-6;1-2-3-4-5-6-15-7(11)8(9,10)16(12,13)14;8-7(9,16(12,13)14)6(11)15-5-2-1-4(10)3-5;1-3(2)12-4(8)5(6,7)13(9,10)11;1-10-2(6)3(4,5)11(7,8)9;3-2(4,1(5)6)10(7,8)9/h14*1-15H;2-12H2,1H3,(H,18,19,20);7-10H,2-6H2,1H3,(H,17,18,19);6-10H,1-5H2,(H,16,17,18);8H,3-7H2,1-2H3,(H,15,16,17);8H,3-7H2,1-2H3,(H,14,15,16);4-5,7H,1-3H2,(H,14,15,16);1-5H,6H2,(H,13,14,15);5-6,11H,1-4H2,(H,13,14,15);1-5H,(H,12,13,14);2-6H2,1H3,(H,12,13,14);4-5,10H,1-3H2,(H,12,13,14);3H,1-2H3,(H,9,10,11);1H3,(H,7,8,9);(H,5,6)(H,7,8,9)/q14*+1;;;;;;;;;;;;;;/p-14.
What are the key properties of 2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;2-(2-cyclohexylpropan-2-yloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxycyclopentyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-hydroxy-2-oxoethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methyl-2-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(3-oxo-2-bicyclo[2.2.1]heptanyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-phenoxyethanesulfonate;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonate;1,1-difluoro-2-oxo-2-propan-2-yloxyethanesulfonate;2-dodecoxy-1,1-difluoro-2-oxoethanesulfonate;2-(2-ethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;tetradecakis(triphenylsulfanium)?
2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;2-(2-cyclohexylpropan-2-yloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxycyclopentyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-hydroxy-2-oxoethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methyl-2-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(3-oxo-2-bicyclo[2.2.1]heptanyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-phenoxyethanesulfonate;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonate;1,1-difluoro-2-oxo-2-propan-2-yloxyethanesulfonate;2-dodecoxy-1,1-difluoro-2-oxoethanesulfonate;2-(2-ethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;tetradecakis(triphenylsulfanium) has a molecular weight of 7422.76 g/mol, XLogP of 78.84, 103 rotatable bonds, 3 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;2-(2-cyclohexylpropan-2-yloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxycyclopentyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-hydroxy-2-oxoethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methyl-2-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(3-oxo-2-bicyclo[2.2.1]heptanyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-phenoxyethanesulfonate;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonate;1,1-difluoro-2-oxo-2-propan-2-yloxyethanesulfonate;2-dodecoxy-1,1-difluoro-2-oxoethanesulfonate;2-(2-ethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;tetradecakis(triphenylsulfanium) is sourced from PubChem (CID 159604682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).