2-acetyloxyethanesulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoropropane-1-sulfonate;adamantane-1-sulfonate;2-benzoyloxyethanesulfonate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;2-(7,7-dimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2-(2,2-dimethylpropanoyloxy)ethanesulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;ethanesulfonate;2-hydroxyethanesulfonate;3-hydroxypropane-1-sulfonate;methanesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;3,3,3-trifluoro-2-hydroxy-2-methylpropane-1-sulfonate;2-[2,4,6-tri(propan-2-yl)benzoyl]oxyethanesulfonate

C145H215F12O78S17-17 — CID 163564132

IUPAC2-acetyloxyethanesulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoropropane-1-sulfonate;adamantane-1-sulfonate;2-benzoyloxyethanesulfonate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;2-(7,7-dimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2-(2,2-dimethylpropanoyloxy)ethanesulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;ethanesulfonate;2-hydroxyethanesulfonate;3-hydroxypropane-1-sulfonate;methanesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;3,3,3-trifluoro-2-hydroxy-2-methylpropane-1-sulfonate;2-[2,4,6-tri(propan-2-yl)benzoyl]oxyethanesulfonate
SMILESCC(=O)OCCS(=O)(=O)[O-].CC(C)(C)C(=O)OC(C)(CS(=O)(=O)[O-])C(F)(F)F.CC(C)(C)C(=O)OCCS(=O)(=O)[O-].CC(C)c1cc(C(C)C)c(C(=O)OCCS(=O)(=O)[O-])c(C(C)C)c1.CC(CS(=O)(=O)[O-])(OC(=O)C12CC3CC(CC(C3)C1)C2)C(F)(F)F.CC(O)(CS(=O)(=O)[O-])C(F)(F)F.CC1(C)C2CCC1(C(=O)OCCS(=O)(=O)[O-])OC2=O.CC1(C)C2CCC1(CS(=O)(=O)[O-])C(=O)C2.CCS(=O)(=O)[O-].CS(=O)(=O)[O-].O=C(OC(CS(=O)(=O)[O-])C(F)(F)F)C12CC3CC(CC(C3)C1)C2.O=C(OCCS(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCCS(=O)(=O)[O-])c1ccccc1.O=C1C2CC3CC1CC(C(=O)OCCS(=O)(=O)[O-])(C3)C2.O=S(=O)([O-])C12CC3CC(CC(C3)C1)C2.O=S(=O)([O-])CCCO.O=S(=O)([O-])CCO
InChIInChI=1S/C18H28O5S.C15H21F3O5S.C14H19F3O5S.C13H18O6S.C13H20O5S.C11H16O7S.C10H16O4S.C10H16O3S.C9H15F3O5S.C9H10O5S.C7H14O5S.C4H7F3O4S.C4H8O5S.C3H8O4S.C2H6O4S.C2H6O3S.CH4O3S/c1-11(2)14-9-15(12(3)4)17(16(10-14)13(5)6)18(19)23-7-8-24(20,21)22;1-13(15(16,17)18,8-24(20,21)22)23-12(19)14-5-9-2-10(6-14)4-11(3-9)7-14;15-14(16,17)11(7-23(19,20)21)22-12(18)13-4-8-1-9(5-13)3-10(2-8)6-13;14-11-9-3-8-4-10(11)7-13(5-8,6-9)12(15)19-1-2-20(16,17)18;14-12(18-1-2-19(15,16)17)13-6-9-3-10(7-13)5-11(4-9)8-13;1-10(2)7-3-4-11(10,18-8(7)12)9(13)17-5-6-19(14,15)16;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;11-14(12,13)10-4-7-1-8(5-10)3-9(2-7)6-10;1-7(2,3)6(13)17-8(4,9(10,11)12)5-18(14,15)16;10-9(8-4-2-1-3-5-8)14-6-7-15(11,12)13;1-7(2,3)6(8)12-4-5-13(9,10)11;1-3(8,4(5,6)7)2-12(9,10)11;1-4(5)9-2-3-10(6,7)8;4-2-1-3-8(5,6)7;3-1-2-7(4,5)6;1-2-6(3,4)5;1-5(2,3)4/h9-13H,7-8H2,1-6H3,(H,20,21,22);9-11H,2-8H2,1H3,(H,20,21,22);8-11H,1-7H2,(H,19,20,21);8-10H,1-7H2,(H,16,17,18);9-11H,1-8H2,(H,15,16,17);7H,3-6H2,1-2H3,(H,14,15,16);7H,3-6H2,1-2H3,(H,12,13,14);7-9H,1-6H2,(H,11,12,13);5H2,1-4H3,(H,14,15,16);1-5H,6-7H2,(H,11,12,13);4-5H2,1-3H3,(H,9,10,11);8H,2H2,1H3,(H,9,10,11);2-3H2,1H3,(H,6,7,8);4H,1-3H2,(H,5,6,7);3H,1-2H2,(H,4,5,6);2H2,1H3,(H,3,4,5);1H3,(H,2,3,4)/p-17
InChIKeyRIDCTHDDIPNQOE-UHFFFAOYSA-A
MW3979.35 g/mol
LogP9.63
Rot. Bonds51

About 2-acetyloxyethanesulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoropropane-1-sulfonate;adamantane-1-sulfonate;2-benzoyloxyethanesulfonate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;2-(7,7-dimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2-(2,2-dimethylpropanoyloxy)ethanesulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;ethanesulfonate;2-hydroxyethanesulfonate;3-hydroxypropane-1-sulfonate;methanesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;3,3,3-trifluoro-2-hydroxy-2-methylpropane-1-sulfonate;2-[2,4,6-tri(propan-2-yl)benzoyl]oxyethanesulfonate

2-acetyloxyethanesulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoropropane-1-sulfonate;adamantane-1-sulfonate;2-benzoyloxyethanesulfonate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;2-(7,7-dimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2-(2,2-dimethylpropanoyloxy)ethanesulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;ethanesulfonate;2-hydroxyethanesulfonate;3-hydroxypropane-1-sulfonate;methanesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;3,3,3-trifluoro-2-hydroxy-2-methylpropane-1-sulfonate;2-[2,4,6-tri(propan-2-yl)benzoyl]oxyethanesulfonate (PubChem CID 163564132) has the molecular formula C145H215F12O78S17-17 and a molecular weight of 3979.35 g/mol. Its IUPAC name is 2-acetyloxyethanesulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoropropane-1-sulfonate;adamantane-1-sulfonate;2-benzoyloxyethanesulfonate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;2-(7,7-dimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2-(2,2-dimethylpropanoyloxy)ethanesulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;ethanesulfonate;2-hydroxyethanesulfonate;3-hydroxypropane-1-sulfonate;methanesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;3,3,3-trifluoro-2-hydroxy-2-methylpropane-1-sulfonate;2-[2,4,6-tri(propan-2-yl)benzoyl]oxyethanesulfonate.

Molecular Properties

Compound Name2-acetyloxyethanesulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoropropane-1-sulfonate;adamantane-1-sulfonate;2-benzoyloxyethanesulfonate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;2-(7,7-dimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2-(2,2-dimethylpropanoyloxy)ethanesulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;ethanesulfonate;2-hydroxyethanesulfonate;3-hydroxypropane-1-sulfonate;methanesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;3,3,3-trifluoro-2-hydroxy-2-methylpropane-1-sulfonate;2-[2,4,6-tri(propan-2-yl)benzoyl]oxyethanesulfonate
PubChem CID163564132
Molecular FormulaC145H215F12O78S17-17
Molecular Weight3979.35 g/mol
Exact Mass3975.80
IUPAC Name2-acetyloxyethanesulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoropropane-1-sulfonate;adamantane-1-sulfonate;2-benzoyloxyethanesulfonate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;2-(7,7-dimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2-(2,2-dimethylpropanoyloxy)ethanesulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;ethanesulfonate;2-hydroxyethanesulfonate;3-hydroxypropane-1-sulfonate;methanesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;3,3,3-trifluoro-2-hydroxy-2-methylpropane-1-sulfonate;2-[2,4,6-tri(propan-2-yl)benzoyl]oxyethanesulfonate
SMILESCC(=O)OCCS(=O)(=O)[O-].CC(C)(C)C(=O)OC(C)(CS(=O)(=O)[O-])C(F)(F)F.CC(C)(C)C(=O)OCCS(=O)(=O)[O-].CC(C)c1cc(C(C)C)c(C(=O)OCCS(=O)(=O)[O-])c(C(C)C)c1.CC(CS(=O)(=O)[O-])(OC(=O)C12CC3CC(CC(C3)C1)C2)C(F)(F)F.CC(O)(CS(=O)(=O)[O-])C(F)(F)F.CC1(C)C2CCC1(C(=O)OCCS(=O)(=O)[O-])OC2=O.CC1(C)C2CCC1(CS(=O)(=O)[O-])C(=O)C2.CCS(=O)(=O)[O-].CS(=O)(=O)[O-].O=C(OC(CS(=O)(=O)[O-])C(F)(F)F)C12CC3CC(CC(C3)C1)C2.O=C(OCCS(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCCS(=O)(=O)[O-])c1ccccc1.O=C1C2CC3CC1CC(C(=O)OCCS(=O)(=O)[O-])(C3)C2.O=S(=O)([O-])C12CC3CC(CC(C3)C1)C2.O=S(=O)([O-])CCCO.O=S(=O)([O-])CCO
InChIInChI=1S/C18H28O5S.C15H21F3O5S.C14H19F3O5S.C13H18O6S.C13H20O5S.C11H16O7S.C10H16O4S.C10H16O3S.C9H15F3O5S.C9H10O5S.C7H14O5S.C4H7F3O4S.C4H8O5S.C3H8O4S.C2H6O4S.C2H6O3S.CH4O3S/c1-11(2)14-9-15(12(3)4)17(16(10-14)13(5)6)18(19)23-7-8-24(20,21)22;1-13(15(16,17)18,8-24(20,21)22)23-12(19)14-5-9-2-10(6-14)4-11(3-9)7-14;15-14(16,17)11(7-23(19,20)21)22-12(18)13-4-8-1-9(5-13)3-10(2-8)6-13;14-11-9-3-8-4-10(11)7-13(5-8,6-9)12(15)19-1-2-20(16,17)18;14-12(18-1-2-19(15,16)17)13-6-9-3-10(7-13)5-11(4-9)8-13;1-10(2)7-3-4-11(10,18-8(7)12)9(13)17-5-6-19(14,15)16;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;11-14(12,13)10-4-7-1-8(5-10)3-9(2-7)6-10;1-7(2,3)6(13)17-8(4,9(10,11)12)5-18(14,15)16;10-9(8-4-2-1-3-5-8)14-6-7-15(11,12)13;1-7(2,3)6(8)12-4-5-13(9,10)11;1-3(8,4(5,6)7)2-12(9,10)11;1-4(5)9-2-3-10(6,7)8;4-2-1-3-8(5,6)7;3-1-2-7(4,5)6;1-2-6(3,4)5;1-5(2,3)4/h9-13H,7-8H2,1-6H3,(H,20,21,22);9-11H,2-8H2,1H3,(H,20,21,22);8-11H,1-7H2,(H,19,20,21);8-10H,1-7H2,(H,16,17,18);9-11H,1-8H2,(H,15,16,17);7H,3-6H2,1-2H3,(H,14,15,16);7H,3-6H2,1-2H3,(H,12,13,14);7-9H,1-6H2,(H,11,12,13);5H2,1-4H3,(H,14,15,16);1-5H,6-7H2,(H,11,12,13);4-5H2,1-3H3,(H,9,10,11);8H,2H2,1H3,(H,9,10,11);2-3H2,1H3,(H,6,7,8);4H,1-3H2,(H,5,6,7);3H,1-2H2,(H,4,5,6);2H2,1H3,(H,3,4,5);1H3,(H,2,3,4)/p-17
InChIKeyRIDCTHDDIPNQOE-UHFFFAOYSA-A
XLogP9.63
TPSA1356.53 Ų
H-Bond Donors3
H-Bond Acceptors78
Rotatable Bonds51
Heavy Atoms252
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003979.35
LogP ≤ 59.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1078

Analyze 2-acetyloxyethanesulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoropropane-1-sulfonate;adamantane-1-sulfonate;2-benzoyloxyethanesulfonate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;2-(7,7-dimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2-(2,2-dimethylpropanoyloxy)ethanesulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;ethanesulfonate;2-hydroxyethanesulfonate;3-hydroxypropane-1-sulfonate;methanesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;3,3,3-trifluoro-2-hydroxy-2-methylpropane-1-sulfonate;2-[2,4,6-tri(propan-2-yl)benzoyl]oxyethanesulfonate with MolForge

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Related Compounds

2-acetyloxyethanesulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;adamantane-1-sulfonate;2-benzoyloxyethanesulfonate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;2-(2,2-dimethylpropanoyloxy)ethanesulfonate;2-[(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]oxyethanesulfonate;ethanesulfonate;2-hydroxyethanesulfonate;3-hydroxypropane-1-sulfonate;methanesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;2-(2,4,6-tricyclohexylbenzoyl)oxyethanesulfonate;2-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2-[2,4,6-tri(propan-2-yl)benzoyl]oxyethanesulfonate
CID 162237368
2-[2-(adamantane-1-carbonyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;(4-methylphenyl)-diphenylsulfanium;triphenylsulfanium
CID 161186188
adamantane-1-sulfonate;2-(1-adamantyl)ethanesulfonate;1-adamantylmethanesulfonate;2-(2-adamantyloxy)-2-oxoethanesulfonate;benzenesulfonate;bis(bicyclo[2.2.1]heptane);bicyclo[2.2.1]heptane-2-sulfonate;bis(cyclohexane);cyclohexanesulfonate;2-decoxy-2-oxoethanesulfonate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;ethanesulfonate;methane;methanesulfonate;4-methylbenzenesulfonate;tris(propane-1-sulfonate);bis(tetracyclo[6.2.1.13,6.02,7]dodecane);tetracyclo[6.2.1.13,6.02,7]dodecane-4-sulfonate;2-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate
CID 160862672
2-(2-carboxybenzoyl)oxyethanesulfonate;1-ethyl-7,7-dimethylbicyclo[2.2.1]heptan-2-one;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;tetrakis(tetrabutylazanium);2,4,6-tri(propan-2-yl)benzenesulfonate
CID 157422070
bis[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-phenylsulfanium;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate
CID 159523688
2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;(1-ethylcyclooctyl) 2,2-dimethylbutanoate;(4-methylphenyl)-diphenylsulfanium;[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl] 2-iodo-2-methylbutanoate;triphenylsulfanium
CID 159912445
2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-(4-ethenylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-(4-ethoxybenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-[4-[(2-methylpropan-2-yl)oxy]benzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2-methylprop-2-enoyloxy)benzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2,4,6-tri(propan-2-yl)benzoyl]oxypropane-1-sulfonate
CID 159683414
2-[2-(adamantane-1-carbonyloxy)-4-methylbenzoyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-(2-benzoyloxy-4-methylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(cyclohexanecarbonyloxy)-4-methylbenzoyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(cyclopentanecarbonyloxy)-4-methylbenzoyl]oxy-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-[4-methyl-2-(2-methylpropanoyloxy)benzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-methyl-2-(4-oxoadamantane-1-carbonyl)oxybenzoyl]oxypropane-1-sulfonate
CID 162191336
2-(adamantane-1-carbonyloxy)ethanesulfonate;2-(1-adamantyl)ethanesulfonate;1-adamantylmethanesulfonate;2-(2-adamantyloxy)-2-oxoethanesulfonate;bis(bicyclo[2.2.1]heptane);bis(cyclohexane);2-(cyclohexanecarbonyloxy)ethanesulfonate;cyclohexanesulfonate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;ethanesulfonate;methanesulfonate;2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl)oxyethanesulfonate;tris(propane-1-sulfonate);bis(tetracyclo[6.2.1.13,6.02,7]dodecane);tetracyclo[6.2.1.13,6.02,7]dodecane-4-sulfonate;2-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate
CID 159154327
2-(adamantane-1-carbonyloxy)-3,3,3-trifluoropropane-1-sulfonate
CID 58283188
(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;(4-fluorophenyl)-diphenylsulfanium
CID 23114472
2-(adamantane-1-carbonyloxy)ethanesulfonate;3-[(4R)-4-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]oxypropane-1-sulfonate;methyl(diphenyl)sulfanium;(4-methylphenyl)-diphenylsulfanium;4-(4-oxoadamantane-1-carbonyl)oxybutane-1-sulfonate;2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;2-[(4R)-4-[(8R,9S,10S,13R,14S,17R)-3,7,12-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]oxyethanesulfonate;tris(triphenylsulfanium)
CID 159115782

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxyethanesulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoropropane-1-sulfonate;adamantane-1-sulfonate;2-benzoyloxyethanesulfonate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;2-(7,7-dimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2-(2,2-dimethylpropanoyloxy)ethanesulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;ethanesulfonate;2-hydroxyethanesulfonate;3-hydroxypropane-1-sulfonate;methanesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;3,3,3-trifluoro-2-hydroxy-2-methylpropane-1-sulfonate;2-[2,4,6-tri(propan-2-yl)benzoyl]oxyethanesulfonate?
The IUPAC name of 2-acetyloxyethanesulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoropropane-1-sulfonate;adamantane-1-sulfonate;2-benzoyloxyethanesulfonate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;2-(7,7-dimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2-(2,2-dimethylpropanoyloxy)ethanesulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;ethanesulfonate;2-hydroxyethanesulfonate;3-hydroxypropane-1-sulfonate;methanesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;3,3,3-trifluoro-2-hydroxy-2-methylpropane-1-sulfonate;2-[2,4,6-tri(propan-2-yl)benzoyl]oxyethanesulfonate (CID 163564132) is 2-acetyloxyethanesulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoropropane-1-sulfonate;adamantane-1-sulfonate;2-benzoyloxyethanesulfonate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;2-(7,7-dimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2-(2,2-dimethylpropanoyloxy)ethanesulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;ethanesulfonate;2-hydroxyethanesulfonate;3-hydroxypropane-1-sulfonate;methanesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;3,3,3-trifluoro-2-hydroxy-2-methylpropane-1-sulfonate;2-[2,4,6-tri(propan-2-yl)benzoyl]oxyethanesulfonate.
What is the SMILES notation for 2-acetyloxyethanesulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoropropane-1-sulfonate;adamantane-1-sulfonate;2-benzoyloxyethanesulfonate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;2-(7,7-dimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2-(2,2-dimethylpropanoyloxy)ethanesulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;ethanesulfonate;2-hydroxyethanesulfonate;3-hydroxypropane-1-sulfonate;methanesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;3,3,3-trifluoro-2-hydroxy-2-methylpropane-1-sulfonate;2-[2,4,6-tri(propan-2-yl)benzoyl]oxyethanesulfonate?
The canonical SMILES for 2-acetyloxyethanesulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoropropane-1-sulfonate;adamantane-1-sulfonate;2-benzoyloxyethanesulfonate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;2-(7,7-dimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2-(2,2-dimethylpropanoyloxy)ethanesulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;ethanesulfonate;2-hydroxyethanesulfonate;3-hydroxypropane-1-sulfonate;methanesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;3,3,3-trifluoro-2-hydroxy-2-methylpropane-1-sulfonate;2-[2,4,6-tri(propan-2-yl)benzoyl]oxyethanesulfonate is CC(=O)OCCS(=O)(=O)[O-].CC(C)(C)C(=O)OC(C)(CS(=O)(=O)[O-])C(F)(F)F.CC(C)(C)C(=O)OCCS(=O)(=O)[O-].CC(C)c1cc(C(C)C)c(C(=O)OCCS(=O)(=O)[O-])c(C(C)C)c1.CC(CS(=O)(=O)[O-])(OC(=O)C12CC3CC(CC(C3)C1)C2)C(F)(F)F.CC(O)(CS(=O)(=O)[O-])C(F)(F)F.CC1(C)C2CCC1(C(=O)OCCS(=O)(=O)[O-])OC2=O.CC1(C)C2CCC1(CS(=O)(=O)[O-])C(=O)C2.CCS(=O)(=O)[O-].CS(=O)(=O)[O-].O=C(OC(CS(=O)(=O)[O-])C(F)(F)F)C12CC3CC(CC(C3)C1)C2.O=C(OCCS(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCCS(=O)(=O)[O-])c1ccccc1.O=C1C2CC3CC1CC(C(=O)OCCS(=O)(=O)[O-])(C3)C2.O=S(=O)([O-])C12CC3CC(CC(C3)C1)C2.O=S(=O)([O-])CCCO.O=S(=O)([O-])CCO.
What is the InChIKey of 2-acetyloxyethanesulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoropropane-1-sulfonate;adamantane-1-sulfonate;2-benzoyloxyethanesulfonate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;2-(7,7-dimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2-(2,2-dimethylpropanoyloxy)ethanesulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;ethanesulfonate;2-hydroxyethanesulfonate;3-hydroxypropane-1-sulfonate;methanesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;3,3,3-trifluoro-2-hydroxy-2-methylpropane-1-sulfonate;2-[2,4,6-tri(propan-2-yl)benzoyl]oxyethanesulfonate?
The InChIKey is RIDCTHDDIPNQOE-UHFFFAOYSA-A. The full InChI is InChI=1S/C18H28O5S.C15H21F3O5S.C14H19F3O5S.C13H18O6S.C13H20O5S.C11H16O7S.C10H16O4S.C10H16O3S.C9H15F3O5S.C9H10O5S.C7H14O5S.C4H7F3O4S.C4H8O5S.C3H8O4S.C2H6O4S.C2H6O3S.CH4O3S/c1-11(2)14-9-15(12(3)4)17(16(10-14)13(5)6)18(19)23-7-8-24(20,21)22;1-13(15(16,17)18,8-24(20,21)22)23-12(19)14-5-9-2-10(6-14)4-11(3-9)7-14;15-14(16,17)11(7-23(19,20)21)22-12(18)13-4-8-1-9(5-13)3-10(2-8)6-13;14-11-9-3-8-4-10(11)7-13(5-8,6-9)12(15)19-1-2-20(16,17)18;14-12(18-1-2-19(15,16)17)13-6-9-3-10(7-13)5-11(4-9)8-13;1-10(2)7-3-4-11(10,18-8(7)12)9(13)17-5-6-19(14,15)16;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;11-14(12,13)10-4-7-1-8(5-10)3-9(2-7)6-10;1-7(2,3)6(13)17-8(4,9(10,11)12)5-18(14,15)16;10-9(8-4-2-1-3-5-8)14-6-7-15(11,12)13;1-7(2,3)6(8)12-4-5-13(9,10)11;1-3(8,4(5,6)7)2-12(9,10)11;1-4(5)9-2-3-10(6,7)8;4-2-1-3-8(5,6)7;3-1-2-7(4,5)6;1-2-6(3,4)5;1-5(2,3)4/h9-13H,7-8H2,1-6H3,(H,20,21,22);9-11H,2-8H2,1H3,(H,20,21,22);8-11H,1-7H2,(H,19,20,21);8-10H,1-7H2,(H,16,17,18);9-11H,1-8H2,(H,15,16,17);7H,3-6H2,1-2H3,(H,14,15,16);7H,3-6H2,1-2H3,(H,12,13,14);7-9H,1-6H2,(H,11,12,13);5H2,1-4H3,(H,14,15,16);1-5H,6-7H2,(H,11,12,13);4-5H2,1-3H3,(H,9,10,11);8H,2H2,1H3,(H,9,10,11);2-3H2,1H3,(H,6,7,8);4H,1-3H2,(H,5,6,7);3H,1-2H2,(H,4,5,6);2H2,1H3,(H,3,4,5);1H3,(H,2,3,4)/p-17.
What are the key properties of 2-acetyloxyethanesulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoropropane-1-sulfonate;adamantane-1-sulfonate;2-benzoyloxyethanesulfonate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;2-(7,7-dimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2-(2,2-dimethylpropanoyloxy)ethanesulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;ethanesulfonate;2-hydroxyethanesulfonate;3-hydroxypropane-1-sulfonate;methanesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;3,3,3-trifluoro-2-hydroxy-2-methylpropane-1-sulfonate;2-[2,4,6-tri(propan-2-yl)benzoyl]oxyethanesulfonate?
2-acetyloxyethanesulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoropropane-1-sulfonate;adamantane-1-sulfonate;2-benzoyloxyethanesulfonate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;2-(7,7-dimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2-(2,2-dimethylpropanoyloxy)ethanesulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;ethanesulfonate;2-hydroxyethanesulfonate;3-hydroxypropane-1-sulfonate;methanesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;3,3,3-trifluoro-2-hydroxy-2-methylpropane-1-sulfonate;2-[2,4,6-tri(propan-2-yl)benzoyl]oxyethanesulfonate has a molecular weight of 3979.35 g/mol, XLogP of 9.63, 51 rotatable bonds, 3 hydrogen bond donors, and 78 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxyethanesulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoropropane-1-sulfonate;adamantane-1-sulfonate;2-benzoyloxyethanesulfonate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;2-(7,7-dimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2-(2,2-dimethylpropanoyloxy)ethanesulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;ethanesulfonate;2-hydroxyethanesulfonate;3-hydroxypropane-1-sulfonate;methanesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;3,3,3-trifluoro-2-hydroxy-2-methylpropane-1-sulfonate;2-[2,4,6-tri(propan-2-yl)benzoyl]oxyethanesulfonate is sourced from PubChem (CID 163564132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).