2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;4-(1-adamantyl)benzenesulfonic acid;2-(1-adamantylmethoxy)benzenesulfonic acid;4-(1-adamantylmethoxy)benzenesulfonic acid;1-cyclohexyl-3,5-di(propan-2-yl)benzene;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;bis(sulfur trioxide)

C122H160F18N2O32S11 — CID 162002502

IUPAC2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;4-(1-adamantyl)benzenesulfonic acid;2-(1-adamantylmethoxy)benzenesulfonic acid;4-(1-adamantylmethoxy)benzenesulfonic acid;1-cyclohexyl-3,5-di(propan-2-yl)benzene;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;bis(sulfur trioxide)
SMILESCC(C)c1cc(C(C)C)cc(C2CCCCC2)c1.CCCCCCCCCCCCSc1c(F)c(F)c(S(=O)(=O)O)c(F)c1F.O=C(OCC(F)(F)S(=O)(=O)O)C12CC3CC(CC(C3)C1)C2.O=S(=O)(N1CCC2CCCCC2C1)C(F)(F)C(F)(F)C(F)F.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)n1ccc2ccccc21.O=S(=O)(O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1.O=S(=O)(O)c1ccc(OCC23CC4CC(CC(C4)C2)C3)cc1.O=S(=O)(O)c1ccccc1OCC12CC3CC(CC(C3)C1)C2.O=S(=O)=O.O=S(=O)=O
InChIInChI=1S/C18H26F4O3S2.C18H28.2C17H22O4S.C16H20O3S.C13H18F2O5S.C12H17F6NO2S.C11H7F6NO5S2.2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-26-17-13(19)15(21)18(27(23,24)25)16(22)14(17)20;1-13(2)16-10-17(14(3)4)12-18(11-16)15-8-6-5-7-9-15;18-22(19,20)16-3-1-15(2-4-16)21-11-17-8-12-5-13(9-17)7-14(6-12)10-17;18-22(19,20)16-4-2-1-3-15(16)21-11-17-8-12-5-13(9-17)7-14(6-12)10-17;17-20(18,19)15-3-1-14(2-4-15)16-8-11-5-12(9-16)7-13(6-11)10-16;14-13(15,21(17,18)19)7-20-11(16)12-4-8-1-9(5-12)3-10(2-8)6-12;13-10(14)11(15,16)12(17,18)22(20,21)19-6-5-8-3-1-2-4-9(8)7-19;12-9(13,11(16,17)25(21,22)23)10(14,15)24(19,20)18-6-5-7-3-1-2-4-8(7)18;2*1-4(2)3/h2-12H2,1H3,(H,23,24,25);10-15H,5-9H2,1-4H3;2*1-4,12-14H,5-11H2,(H,18,19,20);1-4,11-13H,5-10H2,(H,17,18,19);8-10H,1-7H2,(H,17,18,19);8-10H,1-7H2;1-6H,(H,21,22,23);;
InChIKeyYSJZOSJRDSHSSI-UHFFFAOYSA-N
MW2861.30 g/mol
LogP29.01
Rot. Bonds39

About 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;4-(1-adamantyl)benzenesulfonic acid;2-(1-adamantylmethoxy)benzenesulfonic acid;4-(1-adamantylmethoxy)benzenesulfonic acid;1-cyclohexyl-3,5-di(propan-2-yl)benzene;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;bis(sulfur trioxide)

2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;4-(1-adamantyl)benzenesulfonic acid;2-(1-adamantylmethoxy)benzenesulfonic acid;4-(1-adamantylmethoxy)benzenesulfonic acid;1-cyclohexyl-3,5-di(propan-2-yl)benzene;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;bis(sulfur trioxide) (PubChem CID 162002502) has the molecular formula C122H160F18N2O32S11 and a molecular weight of 2861.30 g/mol. Its IUPAC name is 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;4-(1-adamantyl)benzenesulfonic acid;2-(1-adamantylmethoxy)benzenesulfonic acid;4-(1-adamantylmethoxy)benzenesulfonic acid;1-cyclohexyl-3,5-di(propan-2-yl)benzene;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;bis(sulfur trioxide).

Molecular Properties

Compound Name2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;4-(1-adamantyl)benzenesulfonic acid;2-(1-adamantylmethoxy)benzenesulfonic acid;4-(1-adamantylmethoxy)benzenesulfonic acid;1-cyclohexyl-3,5-di(propan-2-yl)benzene;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;bis(sulfur trioxide)
PubChem CID162002502
Molecular FormulaC122H160F18N2O32S11
Molecular Weight2861.30 g/mol
Exact Mass2858.76
IUPAC Name2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;4-(1-adamantyl)benzenesulfonic acid;2-(1-adamantylmethoxy)benzenesulfonic acid;4-(1-adamantylmethoxy)benzenesulfonic acid;1-cyclohexyl-3,5-di(propan-2-yl)benzene;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;bis(sulfur trioxide)
SMILESCC(C)c1cc(C(C)C)cc(C2CCCCC2)c1.CCCCCCCCCCCCSc1c(F)c(F)c(S(=O)(=O)O)c(F)c1F.O=C(OCC(F)(F)S(=O)(=O)O)C12CC3CC(CC(C3)C1)C2.O=S(=O)(N1CCC2CCCCC2C1)C(F)(F)C(F)(F)C(F)F.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)n1ccc2ccccc21.O=S(=O)(O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1.O=S(=O)(O)c1ccc(OCC23CC4CC(CC(C4)C2)C3)cc1.O=S(=O)(O)c1ccccc1OCC12CC3CC(CC(C3)C1)C2.O=S(=O)=O.O=S(=O)=O
InChIInChI=1S/C18H26F4O3S2.C18H28.2C17H22O4S.C16H20O3S.C13H18F2O5S.C12H17F6NO2S.C11H7F6NO5S2.2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-26-17-13(19)15(21)18(27(23,24)25)16(22)14(17)20;1-13(2)16-10-17(14(3)4)12-18(11-16)15-8-6-5-7-9-15;18-22(19,20)16-3-1-15(2-4-16)21-11-17-8-12-5-13(9-17)7-14(6-12)10-17;18-22(19,20)16-4-2-1-3-15(16)21-11-17-8-12-5-13(9-17)7-14(6-12)10-17;17-20(18,19)15-3-1-14(2-4-15)16-8-11-5-12(9-16)7-13(6-11)10-16;14-13(15,21(17,18)19)7-20-11(16)12-4-8-1-9(5-12)3-10(2-8)6-12;13-10(14)11(15,16)12(17,18)22(20,21)19-6-5-8-3-1-2-4-9(8)7-19;12-9(13,11(16,17)25(21,22)23)10(14,15)24(19,20)18-6-5-7-3-1-2-4-8(7)18;2*1-4(2)3/h2-12H2,1H3,(H,23,24,25);10-15H,5-9H2,1-4H3;2*1-4,12-14H,5-11H2,(H,18,19,20);1-4,11-13H,5-10H2,(H,17,18,19);8-10H,1-7H2,(H,17,18,19);8-10H,1-7H2;1-6H,(H,21,22,23);;
InChIKeyYSJZOSJRDSHSSI-UHFFFAOYSA-N
XLogP29.01
TPSA549.85 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds39
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002861.30
LogP ≤ 529.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;4-(1-adamantyl)benzenesulfonic acid;2-(1-adamantylmethoxy)benzenesulfonic acid;4-(1-adamantylmethoxy)benzenesulfonic acid;1-cyclohexyl-3,5-di(propan-2-yl)benzene;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;bis(sulfur trioxide) with MolForge

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Related Compounds

2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;2-(1-adamantylmethoxy)benzenesulfonic acid;1-cyclohexyl-3,5-di(propan-2-yl)benzene;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;tris(sulfur trioxide);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluoropropane-1-sulfonate
CID 158528478
3-(adamantane-1-carbonyloxy)-1,1,1,2-tetrafluoropropane-2-sulfonic acid;3-(1-adamantylsulfamoyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;benzenesulfonate;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2,3,3-hexafluoro-3-methylsulfonylpropyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(2,4,6-tricyclohexylphenyl) 1,1-difluoroethanesulfonate;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate
CID 158553373
2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;2-(1-adamantylmethoxy)benzenesulfonic acid;1-cyclohexyl-3,5-di(propan-2-yl)benzene;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;bis(sulfur trioxide)
CID 158807373
2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;3-(adamantane-1-carbonyloxy)-1,1,1,2-tetrafluoropropane-2-sulfonic acid;3-(1-adamantylsulfamoyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-cyclohexyl-3,5-di(propan-2-yl)benzene;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;bis(sulfur trioxide);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluoro-3-(trioxidanylsulfanyl)propane-1-sulfonate
CID 158950545
2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;3-(adamantane-1-carbonyloxy)-1,1,1,2-tetrafluoropropane-2-sulfonic acid;3-(1-adamantylsulfamoyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-cyclohexyl-3,5-di(propan-2-yl)benzene;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;tris(sulfur trioxide);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluoropropane-1-sulfonate
CID 159455664
2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;2-(1-adamantylmethoxy)benzenesulfonic acid;4-(1-adamantylmethoxy)benzenesulfonic acid;1-cyclohexyl-3,5-di(propan-2-yl)benzene;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;bis(sulfur trioxide)
CID 160024885
2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;1-cyclohexyl-3,5-di(propan-2-yl)benzene;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;tris(sulfur trioxide);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluoropropane-1-sulfonate
CID 160224081
2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;3-(adamantane-1-carbonyloxy)-1,1,1,2-tetrafluoropropane-2-sulfonic acid;3-(1-adamantylsulfamoyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-cyclohexyl-3,5-di(propan-2-yl)benzene;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;2-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)indole;tris(sulfur trioxide);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate
CID 160239449
2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;2-(1-adamantylmethoxy)benzenesulfonic acid;1,3-dicyclohexyl-5-propan-2-ylbenzene;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;bis(sulfur trioxide)
CID 161744094
3-(adamantane-1-carbonyloxy)-1,1,1,2-tetrafluoropropane-2-sulfonic acid;2-(1-adamantylmethoxy)-1,1-difluoroethanesulfonic acid;3-(1-adamantylsulfamoyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-cyclohexyl-3,5-di(propan-2-yl)benzene;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;tris(sulfur trioxide);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluoropropane-1-sulfonate
CID 163564868
2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;3-(adamantane-1-carbonyloxy)-1,1,1,2-tetrafluoropropane-2-sulfonic acid;1-cyclohexyl-3,5-di(propan-2-yl)benzene;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;tris(sulfur trioxide);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluoropropane-1-sulfonate
CID 165075959

Frequently Asked Questions

What is the IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;4-(1-adamantyl)benzenesulfonic acid;2-(1-adamantylmethoxy)benzenesulfonic acid;4-(1-adamantylmethoxy)benzenesulfonic acid;1-cyclohexyl-3,5-di(propan-2-yl)benzene;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;bis(sulfur trioxide)?
The IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;4-(1-adamantyl)benzenesulfonic acid;2-(1-adamantylmethoxy)benzenesulfonic acid;4-(1-adamantylmethoxy)benzenesulfonic acid;1-cyclohexyl-3,5-di(propan-2-yl)benzene;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;bis(sulfur trioxide) (CID 162002502) is 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;4-(1-adamantyl)benzenesulfonic acid;2-(1-adamantylmethoxy)benzenesulfonic acid;4-(1-adamantylmethoxy)benzenesulfonic acid;1-cyclohexyl-3,5-di(propan-2-yl)benzene;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;bis(sulfur trioxide).
What is the SMILES notation for 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;4-(1-adamantyl)benzenesulfonic acid;2-(1-adamantylmethoxy)benzenesulfonic acid;4-(1-adamantylmethoxy)benzenesulfonic acid;1-cyclohexyl-3,5-di(propan-2-yl)benzene;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;bis(sulfur trioxide)?
The canonical SMILES for 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;4-(1-adamantyl)benzenesulfonic acid;2-(1-adamantylmethoxy)benzenesulfonic acid;4-(1-adamantylmethoxy)benzenesulfonic acid;1-cyclohexyl-3,5-di(propan-2-yl)benzene;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;bis(sulfur trioxide) is CC(C)c1cc(C(C)C)cc(C2CCCCC2)c1.CCCCCCCCCCCCSc1c(F)c(F)c(S(=O)(=O)O)c(F)c1F.O=C(OCC(F)(F)S(=O)(=O)O)C12CC3CC(CC(C3)C1)C2.O=S(=O)(N1CCC2CCCCC2C1)C(F)(F)C(F)(F)C(F)F.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)n1ccc2ccccc21.O=S(=O)(O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1.O=S(=O)(O)c1ccc(OCC23CC4CC(CC(C4)C2)C3)cc1.O=S(=O)(O)c1ccccc1OCC12CC3CC(CC(C3)C1)C2.O=S(=O)=O.O=S(=O)=O.
What is the InChIKey of 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;4-(1-adamantyl)benzenesulfonic acid;2-(1-adamantylmethoxy)benzenesulfonic acid;4-(1-adamantylmethoxy)benzenesulfonic acid;1-cyclohexyl-3,5-di(propan-2-yl)benzene;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;bis(sulfur trioxide)?
The InChIKey is YSJZOSJRDSHSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F4O3S2.C18H28.2C17H22O4S.C16H20O3S.C13H18F2O5S.C12H17F6NO2S.C11H7F6NO5S2.2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-26-17-13(19)15(21)18(27(23,24)25)16(22)14(17)20;1-13(2)16-10-17(14(3)4)12-18(11-16)15-8-6-5-7-9-15;18-22(19,20)16-3-1-15(2-4-16)21-11-17-8-12-5-13(9-17)7-14(6-12)10-17;18-22(19,20)16-4-2-1-3-15(16)21-11-17-8-12-5-13(9-17)7-14(6-12)10-17;17-20(18,19)15-3-1-14(2-4-15)16-8-11-5-12(9-16)7-13(6-11)10-16;14-13(15,21(17,18)19)7-20-11(16)12-4-8-1-9(5-12)3-10(2-8)6-12;13-10(14)11(15,16)12(17,18)22(20,21)19-6-5-8-3-1-2-4-9(8)7-19;12-9(13,11(16,17)25(21,22)23)10(14,15)24(19,20)18-6-5-7-3-1-2-4-8(7)18;2*1-4(2)3/h2-12H2,1H3,(H,23,24,25);10-15H,5-9H2,1-4H3;2*1-4,12-14H,5-11H2,(H,18,19,20);1-4,11-13H,5-10H2,(H,17,18,19);8-10H,1-7H2,(H,17,18,19);8-10H,1-7H2;1-6H,(H,21,22,23);;.
What are the key properties of 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;4-(1-adamantyl)benzenesulfonic acid;2-(1-adamantylmethoxy)benzenesulfonic acid;4-(1-adamantylmethoxy)benzenesulfonic acid;1-cyclohexyl-3,5-di(propan-2-yl)benzene;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;bis(sulfur trioxide)?
2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;4-(1-adamantyl)benzenesulfonic acid;2-(1-adamantylmethoxy)benzenesulfonic acid;4-(1-adamantylmethoxy)benzenesulfonic acid;1-cyclohexyl-3,5-di(propan-2-yl)benzene;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;bis(sulfur trioxide) has a molecular weight of 2861.30 g/mol, XLogP of 29.01, 39 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;4-(1-adamantyl)benzenesulfonic acid;2-(1-adamantylmethoxy)benzenesulfonic acid;4-(1-adamantylmethoxy)benzenesulfonic acid;1-cyclohexyl-3,5-di(propan-2-yl)benzene;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;2-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;bis(sulfur trioxide) is sourced from PubChem (CID 162002502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).