2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;2-[2-(1-adamantyl)propan-2-yloxy]-1,1-difluoro-2-oxoethanesulfonate;(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-[(3-fluoro-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-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;1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]ethanesulfonate;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;tris((4-methylphenyl)-diphenylsulfanium);tris(triphenylsulfanium)

C252H257F17O47S16 — CID 158611236

IUPAC2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;2-[2-(1-adamantyl)propan-2-yloxy]-1,1-difluoro-2-oxoethanesulfonate;(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-[(3-fluoro-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-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;1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]ethanesulfonate;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;tris((4-methylphenyl)-diphenylsulfanium);tris(triphenylsulfanium)
SMILESCC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(OC(=O)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=C(OCC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=C(OCC12CC3CC(CC(F)(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=C(OCC12CC3CC(CC(O)(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=C1C2CC3CC1CC(OC(=O)C(F)(F)S(=O)(=O)[O-])(C3)C2.O=C1OC2C3CC(CC13)C2OC(=O)C(F)(F)S(=O)(=O)[O-].O=C1OC2CC3CC1CC(OC(=O)C(F)(F)S(=O)(=O)[O-])(C3)C2.OCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H23S.C19H17OS.3C19H17S.3C18H15S.C15H22F2O5S.C13H17F3O5S.C13H18F2O6S.C13H18F2O5S.C12H14F2O7S.C12H14F2O6S.C12H16F2O5S.C10H10F2O7S/c1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;20-15-16-11-13-19(14-12-16)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18;3*1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-13(2,22-12(18)15(16,17)23(19,20)21)14-6-9-3-10(7-14)5-11(4-9)8-14;14-12-4-8-1-9(5-12)3-11(2-8,6-12)7-21-10(17)13(15,16)22(18,19)20;14-13(15,22(18,19)20)10(16)21-7-11-2-8-1-9(3-11)5-12(17,4-8)6-11;14-13(15,21(17,18)19)11(16)20-7-12-4-8-1-9(5-12)3-10(2-8)6-12;13-12(14,22(17,18)19)10(16)21-11-3-6-1-7(4-11)9(15)20-8(2-6)5-11;13-12(14,21(17,18)19)10(16)20-11-3-6-1-7(4-11)9(15)8(2-6)5-11;13-12(14,20(16,17)18)10(15)19-11-4-7-1-8(5-11)3-9(2-7)6-11;11-10(12,20(15,16)17)9(14)19-6-3-1-4-5(2-3)8(13)18-7(4)6/h4-17H,1-3H3;1-14,20H,15H2;3*2-15H,1H3;3*1-15H;9-11H,3-8H2,1-2H3,(H,19,20,21);8-9H,1-7H2,(H,18,19,20);8-9,17H,1-7H2,(H,18,19,20);8-10H,1-7H2,(H,17,18,19);6-8H,1-5H2,(H,17,18,19);6-8H,1-5H2,(H,17,18,19);7-9H,1-6H2,(H,16,17,18);3-7H,1-2H2,(H,15,16,17)/q8*+1;;;;;;;;/p-8
InChIKeyHWWAKCNUTAXLBN-UHFFFAOYSA-F
MW4873.82 g/mol
LogP50.10
Rot. Bonds53

About 2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;2-[2-(1-adamantyl)propan-2-yloxy]-1,1-difluoro-2-oxoethanesulfonate;(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-[(3-fluoro-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-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;1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]ethanesulfonate;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;tris((4-methylphenyl)-diphenylsulfanium);tris(triphenylsulfanium)

2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;2-[2-(1-adamantyl)propan-2-yloxy]-1,1-difluoro-2-oxoethanesulfonate;(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-[(3-fluoro-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-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;1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]ethanesulfonate;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;tris((4-methylphenyl)-diphenylsulfanium);tris(triphenylsulfanium) (PubChem CID 158611236) has the molecular formula C252H257F17O47S16 and a molecular weight of 4873.82 g/mol. Its IUPAC name is 2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;2-[2-(1-adamantyl)propan-2-yloxy]-1,1-difluoro-2-oxoethanesulfonate;(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-[(3-fluoro-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-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;1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]ethanesulfonate;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;tris((4-methylphenyl)-diphenylsulfanium);tris(triphenylsulfanium).

Molecular Properties

Compound Name2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;2-[2-(1-adamantyl)propan-2-yloxy]-1,1-difluoro-2-oxoethanesulfonate;(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-[(3-fluoro-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-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;1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]ethanesulfonate;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;tris((4-methylphenyl)-diphenylsulfanium);tris(triphenylsulfanium)
PubChem CID158611236
Molecular FormulaC252H257F17O47S16
Molecular Weight4873.82 g/mol
Exact Mass4869.30
IUPAC Name2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;2-[2-(1-adamantyl)propan-2-yloxy]-1,1-difluoro-2-oxoethanesulfonate;(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-[(3-fluoro-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-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;1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]ethanesulfonate;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;tris((4-methylphenyl)-diphenylsulfanium);tris(triphenylsulfanium)
SMILESCC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(OC(=O)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=C(OCC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=C(OCC12CC3CC(CC(F)(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=C(OCC12CC3CC(CC(O)(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=C1C2CC3CC1CC(OC(=O)C(F)(F)S(=O)(=O)[O-])(C3)C2.O=C1OC2C3CC(CC13)C2OC(=O)C(F)(F)S(=O)(=O)[O-].O=C1OC2CC3CC1CC(OC(=O)C(F)(F)S(=O)(=O)[O-])(C3)C2.OCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H23S.C19H17OS.3C19H17S.3C18H15S.C15H22F2O5S.C13H17F3O5S.C13H18F2O6S.C13H18F2O5S.C12H14F2O7S.C12H14F2O6S.C12H16F2O5S.C10H10F2O7S/c1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;20-15-16-11-13-19(14-12-16)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18;3*1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-13(2,22-12(18)15(16,17)23(19,20)21)14-6-9-3-10(7-14)5-11(4-9)8-14;14-12-4-8-1-9(5-12)3-11(2-8,6-12)7-21-10(17)13(15,16)22(18,19)20;14-13(15,22(18,19)20)10(16)21-7-11-2-8-1-9(3-11)5-12(17,4-8)6-11;14-13(15,21(17,18)19)11(16)20-7-12-4-8-1-9(5-12)3-10(2-8)6-12;13-12(14,22(17,18)19)10(16)21-11-3-6-1-7(4-11)9(15)20-8(2-6)5-11;13-12(14,21(17,18)19)10(16)20-11-3-6-1-7(4-11)9(15)8(2-6)5-11;13-12(14,20(16,17)18)10(15)19-11-4-7-1-8(5-11)3-9(2-7)6-11;11-10(12,20(15,16)17)9(14)19-6-3-1-4-5(2-3)8(13)18-7(4)6/h4-17H,1-3H3;1-14,20H,15H2;3*2-15H,1H3;3*1-15H;9-11H,3-8H2,1-2H3,(H,19,20,21);8-9H,1-7H2,(H,18,19,20);8-9,17H,1-7H2,(H,18,19,20);8-10H,1-7H2,(H,17,18,19);6-8H,1-5H2,(H,17,18,19);6-8H,1-5H2,(H,17,18,19);7-9H,1-6H2,(H,16,17,18);3-7H,1-2H2,(H,15,16,17)/q8*+1;;;;;;;;/p-8
InChIKeyHWWAKCNUTAXLBN-UHFFFAOYSA-F
XLogP50.10
TPSA778.13 Ų
H-Bond Donors2
H-Bond Acceptors47
Rotatable Bonds53
Heavy Atoms332
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004873.82
LogP ≤ 550.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1047

Analyze 2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;2-[2-(1-adamantyl)propan-2-yloxy]-1,1-difluoro-2-oxoethanesulfonate;(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-[(3-fluoro-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-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;1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]ethanesulfonate;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;tris((4-methylphenyl)-diphenylsulfanium);tris(triphenylsulfanium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;2-[2-(1-adamantyl)propan-2-yloxy]-1,1-difluoro-2-oxoethanesulfonate;(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-[(3-fluoro-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-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;1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]ethanesulfonate;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;tris((4-methylphenyl)-diphenylsulfanium);tris(triphenylsulfanium)?
The IUPAC name of 2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;2-[2-(1-adamantyl)propan-2-yloxy]-1,1-difluoro-2-oxoethanesulfonate;(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-[(3-fluoro-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-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;1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]ethanesulfonate;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;tris((4-methylphenyl)-diphenylsulfanium);tris(triphenylsulfanium) (CID 158611236) is 2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;2-[2-(1-adamantyl)propan-2-yloxy]-1,1-difluoro-2-oxoethanesulfonate;(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-[(3-fluoro-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-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;1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]ethanesulfonate;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;tris((4-methylphenyl)-diphenylsulfanium);tris(triphenylsulfanium).
What is the SMILES notation for 2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;2-[2-(1-adamantyl)propan-2-yloxy]-1,1-difluoro-2-oxoethanesulfonate;(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-[(3-fluoro-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-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;1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]ethanesulfonate;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;tris((4-methylphenyl)-diphenylsulfanium);tris(triphenylsulfanium)?
The canonical SMILES for 2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;2-[2-(1-adamantyl)propan-2-yloxy]-1,1-difluoro-2-oxoethanesulfonate;(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-[(3-fluoro-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-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;1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]ethanesulfonate;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;tris((4-methylphenyl)-diphenylsulfanium);tris(triphenylsulfanium) is CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(OC(=O)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=C(OCC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=C(OCC12CC3CC(CC(F)(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=C(OCC12CC3CC(CC(O)(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=C1C2CC3CC1CC(OC(=O)C(F)(F)S(=O)(=O)[O-])(C3)C2.O=C1OC2C3CC(CC13)C2OC(=O)C(F)(F)S(=O)(=O)[O-].O=C1OC2CC3CC1CC(OC(=O)C(F)(F)S(=O)(=O)[O-])(C3)C2.OCc1ccc([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-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;2-[2-(1-adamantyl)propan-2-yloxy]-1,1-difluoro-2-oxoethanesulfonate;(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-[(3-fluoro-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-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;1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]ethanesulfonate;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;tris((4-methylphenyl)-diphenylsulfanium);tris(triphenylsulfanium)?
The InChIKey is HWWAKCNUTAXLBN-UHFFFAOYSA-F. The full InChI is InChI=1S/C22H23S.C19H17OS.3C19H17S.3C18H15S.C15H22F2O5S.C13H17F3O5S.C13H18F2O6S.C13H18F2O5S.C12H14F2O7S.C12H14F2O6S.C12H16F2O5S.C10H10F2O7S/c1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;20-15-16-11-13-19(14-12-16)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18;3*1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-13(2,22-12(18)15(16,17)23(19,20)21)14-6-9-3-10(7-14)5-11(4-9)8-14;14-12-4-8-1-9(5-12)3-11(2-8,6-12)7-21-10(17)13(15,16)22(18,19)20;14-13(15,22(18,19)20)10(16)21-7-11-2-8-1-9(3-11)5-12(17,4-8)6-11;14-13(15,21(17,18)19)11(16)20-7-12-4-8-1-9(5-12)3-10(2-8)6-12;13-12(14,22(17,18)19)10(16)21-11-3-6-1-7(4-11)9(15)20-8(2-6)5-11;13-12(14,21(17,18)19)10(16)20-11-3-6-1-7(4-11)9(15)8(2-6)5-11;13-12(14,20(16,17)18)10(15)19-11-4-7-1-8(5-11)3-9(2-7)6-11;11-10(12,20(15,16)17)9(14)19-6-3-1-4-5(2-3)8(13)18-7(4)6/h4-17H,1-3H3;1-14,20H,15H2;3*2-15H,1H3;3*1-15H;9-11H,3-8H2,1-2H3,(H,19,20,21);8-9H,1-7H2,(H,18,19,20);8-9,17H,1-7H2,(H,18,19,20);8-10H,1-7H2,(H,17,18,19);6-8H,1-5H2,(H,17,18,19);6-8H,1-5H2,(H,17,18,19);7-9H,1-6H2,(H,16,17,18);3-7H,1-2H2,(H,15,16,17)/q8*+1;;;;;;;;/p-8.
What are the key properties of 2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;2-[2-(1-adamantyl)propan-2-yloxy]-1,1-difluoro-2-oxoethanesulfonate;(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-[(3-fluoro-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-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;1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]ethanesulfonate;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;tris((4-methylphenyl)-diphenylsulfanium);tris(triphenylsulfanium)?
2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;2-[2-(1-adamantyl)propan-2-yloxy]-1,1-difluoro-2-oxoethanesulfonate;(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-[(3-fluoro-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-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;1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]ethanesulfonate;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;tris((4-methylphenyl)-diphenylsulfanium);tris(triphenylsulfanium) has a molecular weight of 4873.82 g/mol, XLogP of 50.10, 53 rotatable bonds, 2 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;2-[2-(1-adamantyl)propan-2-yloxy]-1,1-difluoro-2-oxoethanesulfonate;(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-[(3-fluoro-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-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;1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]ethanesulfonate;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;tris((4-methylphenyl)-diphenylsulfanium);tris(triphenylsulfanium) is sourced from PubChem (CID 158611236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).