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;bis((4-tert-butylphenyl)-diphenylsulfanium);1,1-difluoro-2-[(3-fluoro-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[[3-(hydroxymethyl)-1-adamantyl]methoxy]-2-oxoethanesulfonate;bis(1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate);bis(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)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(trifluoromethyl)-1-adamantyl]methoxy]ethanesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;tris((4-methylphenyl)-diphenylsulfanium);1-(thiolan-1-ium-1-yl)propan-2-one;tetrakis(triphenylsulfanium)

C359H384F28O73S24 — CID 159485493

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;bis((4-tert-butylphenyl)-diphenylsulfanium);1,1-difluoro-2-[(3-fluoro-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[[3-(hydroxymethyl)-1-adamantyl]methoxy]-2-oxoethanesulfonate;bis(1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate);bis(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)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(trifluoromethyl)-1-adamantyl]methoxy]ethanesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;tris((4-methylphenyl)-diphenylsulfanium);1-(thiolan-1-ium-1-yl)propan-2-one;tetrakis(triphenylsulfanium)
SMILESCC(=O)C[S+]1CCCC1.CC(C)(C)C(=O)C[S+]1CCCC1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.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(C1)C(O)C(C3)C2)C(F)(F)S(=O)(=O)[O-].O=C(OC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=C(OCC12CC3CC(C1)CC(C(F)(F)F)(C3)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(CO)(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=C1C2CC3CC1CC(OC(=O)C(F)(F)S(=O)(=O)[O-])(C3)C2.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=C1OC2C3CC(CC13)C2OC(=O)C(F)(F)S(=O)(=O)[O-].O=C1OC2CC3CC1CC(COC(=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.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C22H23S.C19H17OS.3C19H17S.4C18H15S.C15H22F2O5S.C14H17F5O5S.C14H20F2O6S.C13H17F3O5S.C13H16F2O7S.C13H18F2O5S.C12H16F2O6S.2C12H14F2O6S.C12H16F2O5S.2C10H10F2O7S.C10H19OS.C7H13OS/c2*1-22(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;4*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;15-13(16,25(21,22)23)10(20)24-7-11-2-8-1-9(3-11)5-12(4-8,6-11)14(17,18)19;15-14(16,23(19,20)21)11(18)22-8-13-4-9-1-10(5-13)3-12(2-9,6-13)7-17;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(15,23(18,19)20)11(17)21-6-12-3-7-1-8(4-12)10(16)22-9(2-7)5-12;14-13(15,21(17,18)19)11(16)20-7-12-4-8-1-9(5-12)3-10(2-8)6-12;3*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;2*11-10(12,20(15,16)17)9(14)19-6-3-1-4-5(2-3)8(13)18-7(4)6;1-10(2,3)9(11)8-12-6-4-5-7-12;1-7(8)6-9-4-2-3-5-9/h2*4-17H,1-3H3;1-14,20H,15H2;3*2-15H,1H3;4*1-15H;9-11H,3-8H2,1-2H3,(H,19,20,21);8-9H,1-7H2,(H,21,22,23);9-10,17H,1-8H2,(H,19,20,21);8-9H,1-7H2,(H,18,19,20);7-9H,1-6H2,(H,18,19,20);8-10H,1-7H2,(H,17,18,19);6-9,15H,1-5H2,(H,17,18,19);2*6-8H,1-5H2,(H,17,18,19);7-9H,1-6H2,(H,16,17,18);2*3-7H,1-2H2,(H,15,16,17);4-8H2,1-3H3;2-6H2,1H3/q10*+1;;;;;;;;;;;;;2*+1/p-12
InChIKeyLXNJAGURXDRMOS-UHFFFAOYSA-B
MW7168.50 g/mol
LogP68.32
Rot. Bonds78

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;bis((4-tert-butylphenyl)-diphenylsulfanium);1,1-difluoro-2-[(3-fluoro-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[[3-(hydroxymethyl)-1-adamantyl]methoxy]-2-oxoethanesulfonate;bis(1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate);bis(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)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(trifluoromethyl)-1-adamantyl]methoxy]ethanesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;tris((4-methylphenyl)-diphenylsulfanium);1-(thiolan-1-ium-1-yl)propan-2-one;tetrakis(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;bis((4-tert-butylphenyl)-diphenylsulfanium);1,1-difluoro-2-[(3-fluoro-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[[3-(hydroxymethyl)-1-adamantyl]methoxy]-2-oxoethanesulfonate;bis(1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate);bis(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)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(trifluoromethyl)-1-adamantyl]methoxy]ethanesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;tris((4-methylphenyl)-diphenylsulfanium);1-(thiolan-1-ium-1-yl)propan-2-one;tetrakis(triphenylsulfanium) (PubChem CID 159485493) has the molecular formula C359H384F28O73S24 and a molecular weight of 7168.50 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;bis((4-tert-butylphenyl)-diphenylsulfanium);1,1-difluoro-2-[(3-fluoro-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[[3-(hydroxymethyl)-1-adamantyl]methoxy]-2-oxoethanesulfonate;bis(1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate);bis(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)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(trifluoromethyl)-1-adamantyl]methoxy]ethanesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;tris((4-methylphenyl)-diphenylsulfanium);1-(thiolan-1-ium-1-yl)propan-2-one;tetrakis(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;bis((4-tert-butylphenyl)-diphenylsulfanium);1,1-difluoro-2-[(3-fluoro-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[[3-(hydroxymethyl)-1-adamantyl]methoxy]-2-oxoethanesulfonate;bis(1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate);bis(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)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(trifluoromethyl)-1-adamantyl]methoxy]ethanesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;tris((4-methylphenyl)-diphenylsulfanium);1-(thiolan-1-ium-1-yl)propan-2-one;tetrakis(triphenylsulfanium)
PubChem CID159485493
Molecular FormulaC359H384F28O73S24
Molecular Weight7168.50 g/mol
Exact Mass7161.92
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;bis((4-tert-butylphenyl)-diphenylsulfanium);1,1-difluoro-2-[(3-fluoro-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[[3-(hydroxymethyl)-1-adamantyl]methoxy]-2-oxoethanesulfonate;bis(1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate);bis(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)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(trifluoromethyl)-1-adamantyl]methoxy]ethanesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;tris((4-methylphenyl)-diphenylsulfanium);1-(thiolan-1-ium-1-yl)propan-2-one;tetrakis(triphenylsulfanium)
SMILESCC(=O)C[S+]1CCCC1.CC(C)(C)C(=O)C[S+]1CCCC1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.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(C1)C(O)C(C3)C2)C(F)(F)S(=O)(=O)[O-].O=C(OC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=C(OCC12CC3CC(C1)CC(C(F)(F)F)(C3)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(CO)(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=C1C2CC3CC1CC(OC(=O)C(F)(F)S(=O)(=O)[O-])(C3)C2.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=C1OC2C3CC(CC13)C2OC(=O)C(F)(F)S(=O)(=O)[O-].O=C1OC2CC3CC1CC(COC(=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.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C22H23S.C19H17OS.3C19H17S.4C18H15S.C15H22F2O5S.C14H17F5O5S.C14H20F2O6S.C13H17F3O5S.C13H16F2O7S.C13H18F2O5S.C12H16F2O6S.2C12H14F2O6S.C12H16F2O5S.2C10H10F2O7S.C10H19OS.C7H13OS/c2*1-22(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;4*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;15-13(16,25(21,22)23)10(20)24-7-11-2-8-1-9(3-11)5-12(4-8,6-11)14(17,18)19;15-14(16,23(19,20)21)11(18)22-8-13-4-9-1-10(5-13)3-12(2-9,6-13)7-17;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(15,23(18,19)20)11(17)21-6-12-3-7-1-8(4-12)10(16)22-9(2-7)5-12;14-13(15,21(17,18)19)11(16)20-7-12-4-8-1-9(5-12)3-10(2-8)6-12;3*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;2*11-10(12,20(15,16)17)9(14)19-6-3-1-4-5(2-3)8(13)18-7(4)6;1-10(2,3)9(11)8-12-6-4-5-7-12;1-7(8)6-9-4-2-3-5-9/h2*4-17H,1-3H3;1-14,20H,15H2;3*2-15H,1H3;4*1-15H;9-11H,3-8H2,1-2H3,(H,19,20,21);8-9H,1-7H2,(H,21,22,23);9-10,17H,1-8H2,(H,19,20,21);8-9H,1-7H2,(H,18,19,20);7-9H,1-6H2,(H,18,19,20);8-10H,1-7H2,(H,17,18,19);6-9,15H,1-5H2,(H,17,18,19);2*6-8H,1-5H2,(H,17,18,19);7-9H,1-6H2,(H,16,17,18);2*3-7H,1-2H2,(H,15,16,17);4-8H2,1-3H3;2-6H2,1H3/q10*+1;;;;;;;;;;;;;2*+1/p-12
InChIKeyLXNJAGURXDRMOS-UHFFFAOYSA-B
XLogP68.32
TPSA1209.87 Ų
H-Bond Donors3
H-Bond Acceptors73
Rotatable Bonds78
Heavy Atoms484
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5007168.50
LogP ≤ 568.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1073

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;bis((4-tert-butylphenyl)-diphenylsulfanium);1,1-difluoro-2-[(3-fluoro-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[[3-(hydroxymethyl)-1-adamantyl]methoxy]-2-oxoethanesulfonate;bis(1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate);bis(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)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(trifluoromethyl)-1-adamantyl]methoxy]ethanesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;tris((4-methylphenyl)-diphenylsulfanium);1-(thiolan-1-ium-1-yl)propan-2-one;tetrakis(triphenylsulfanium) with MolForge

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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;bis((4-tert-butylphenyl)-diphenylsulfanium);1,1-difluoro-2-[(3-fluoro-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[[3-(hydroxymethyl)-1-adamantyl]methoxy]-2-oxoethanesulfonate;bis(1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate);bis(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)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(trifluoromethyl)-1-adamantyl]methoxy]ethanesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;tris((4-methylphenyl)-diphenylsulfanium);1-(thiolan-1-ium-1-yl)propan-2-one;tetrakis(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;bis((4-tert-butylphenyl)-diphenylsulfanium);1,1-difluoro-2-[(3-fluoro-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[[3-(hydroxymethyl)-1-adamantyl]methoxy]-2-oxoethanesulfonate;bis(1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate);bis(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)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(trifluoromethyl)-1-adamantyl]methoxy]ethanesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;tris((4-methylphenyl)-diphenylsulfanium);1-(thiolan-1-ium-1-yl)propan-2-one;tetrakis(triphenylsulfanium) (CID 159485493) 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;bis((4-tert-butylphenyl)-diphenylsulfanium);1,1-difluoro-2-[(3-fluoro-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[[3-(hydroxymethyl)-1-adamantyl]methoxy]-2-oxoethanesulfonate;bis(1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate);bis(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)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(trifluoromethyl)-1-adamantyl]methoxy]ethanesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;tris((4-methylphenyl)-diphenylsulfanium);1-(thiolan-1-ium-1-yl)propan-2-one;tetrakis(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;bis((4-tert-butylphenyl)-diphenylsulfanium);1,1-difluoro-2-[(3-fluoro-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[[3-(hydroxymethyl)-1-adamantyl]methoxy]-2-oxoethanesulfonate;bis(1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate);bis(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)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(trifluoromethyl)-1-adamantyl]methoxy]ethanesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;tris((4-methylphenyl)-diphenylsulfanium);1-(thiolan-1-ium-1-yl)propan-2-one;tetrakis(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;bis((4-tert-butylphenyl)-diphenylsulfanium);1,1-difluoro-2-[(3-fluoro-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[[3-(hydroxymethyl)-1-adamantyl]methoxy]-2-oxoethanesulfonate;bis(1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate);bis(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)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(trifluoromethyl)-1-adamantyl]methoxy]ethanesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;tris((4-methylphenyl)-diphenylsulfanium);1-(thiolan-1-ium-1-yl)propan-2-one;tetrakis(triphenylsulfanium) is CC(=O)C[S+]1CCCC1.CC(C)(C)C(=O)C[S+]1CCCC1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.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(C1)C(O)C(C3)C2)C(F)(F)S(=O)(=O)[O-].O=C(OC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=C(OCC12CC3CC(C1)CC(C(F)(F)F)(C3)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(CO)(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=C1C2CC3CC1CC(OC(=O)C(F)(F)S(=O)(=O)[O-])(C3)C2.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=C1OC2C3CC(CC13)C2OC(=O)C(F)(F)S(=O)(=O)[O-].O=C1OC2CC3CC1CC(COC(=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.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;bis((4-tert-butylphenyl)-diphenylsulfanium);1,1-difluoro-2-[(3-fluoro-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[[3-(hydroxymethyl)-1-adamantyl]methoxy]-2-oxoethanesulfonate;bis(1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate);bis(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)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(trifluoromethyl)-1-adamantyl]methoxy]ethanesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;tris((4-methylphenyl)-diphenylsulfanium);1-(thiolan-1-ium-1-yl)propan-2-one;tetrakis(triphenylsulfanium)?
The InChIKey is LXNJAGURXDRMOS-UHFFFAOYSA-B. The full InChI is InChI=1S/2C22H23S.C19H17OS.3C19H17S.4C18H15S.C15H22F2O5S.C14H17F5O5S.C14H20F2O6S.C13H17F3O5S.C13H16F2O7S.C13H18F2O5S.C12H16F2O6S.2C12H14F2O6S.C12H16F2O5S.2C10H10F2O7S.C10H19OS.C7H13OS/c2*1-22(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;4*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;15-13(16,25(21,22)23)10(20)24-7-11-2-8-1-9(3-11)5-12(4-8,6-11)14(17,18)19;15-14(16,23(19,20)21)11(18)22-8-13-4-9-1-10(5-13)3-12(2-9,6-13)7-17;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(15,23(18,19)20)11(17)21-6-12-3-7-1-8(4-12)10(16)22-9(2-7)5-12;14-13(15,21(17,18)19)11(16)20-7-12-4-8-1-9(5-12)3-10(2-8)6-12;3*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;2*11-10(12,20(15,16)17)9(14)19-6-3-1-4-5(2-3)8(13)18-7(4)6;1-10(2,3)9(11)8-12-6-4-5-7-12;1-7(8)6-9-4-2-3-5-9/h2*4-17H,1-3H3;1-14,20H,15H2;3*2-15H,1H3;4*1-15H;9-11H,3-8H2,1-2H3,(H,19,20,21);8-9H,1-7H2,(H,21,22,23);9-10,17H,1-8H2,(H,19,20,21);8-9H,1-7H2,(H,18,19,20);7-9H,1-6H2,(H,18,19,20);8-10H,1-7H2,(H,17,18,19);6-9,15H,1-5H2,(H,17,18,19);2*6-8H,1-5H2,(H,17,18,19);7-9H,1-6H2,(H,16,17,18);2*3-7H,1-2H2,(H,15,16,17);4-8H2,1-3H3;2-6H2,1H3/q10*+1;;;;;;;;;;;;;2*+1/p-12.
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;bis((4-tert-butylphenyl)-diphenylsulfanium);1,1-difluoro-2-[(3-fluoro-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[[3-(hydroxymethyl)-1-adamantyl]methoxy]-2-oxoethanesulfonate;bis(1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate);bis(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)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(trifluoromethyl)-1-adamantyl]methoxy]ethanesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;tris((4-methylphenyl)-diphenylsulfanium);1-(thiolan-1-ium-1-yl)propan-2-one;tetrakis(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;bis((4-tert-butylphenyl)-diphenylsulfanium);1,1-difluoro-2-[(3-fluoro-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[[3-(hydroxymethyl)-1-adamantyl]methoxy]-2-oxoethanesulfonate;bis(1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate);bis(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)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(trifluoromethyl)-1-adamantyl]methoxy]ethanesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;tris((4-methylphenyl)-diphenylsulfanium);1-(thiolan-1-ium-1-yl)propan-2-one;tetrakis(triphenylsulfanium) has a molecular weight of 7168.50 g/mol, XLogP of 68.32, 78 rotatable bonds, 3 hydrogen bond donors, and 73 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;bis((4-tert-butylphenyl)-diphenylsulfanium);1,1-difluoro-2-[(3-fluoro-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[[3-(hydroxymethyl)-1-adamantyl]methoxy]-2-oxoethanesulfonate;bis(1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate);bis(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)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(trifluoromethyl)-1-adamantyl]methoxy]ethanesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;tris((4-methylphenyl)-diphenylsulfanium);1-(thiolan-1-ium-1-yl)propan-2-one;tetrakis(triphenylsulfanium) is sourced from PubChem (CID 159485493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).