3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl(difluoro)methanesulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-(3-tert-butyl-4,5-dimethylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-3-methyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;bis(1,1-difluoro-2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethanesulfonate);1,1-difluoro-2-(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;1-(3,4-dimethoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-(4-propan-2-ylphenyl)butan-1-one;1-(4-fluorophenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one

C155H223F15N2O40S12 — CID 159659042

About 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl(difluoro)methanesulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-(3-tert-butyl-4,5-dimethylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-3-methyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;bis(1,1-difluoro-2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethanesulfonate);1,1-difluoro-2-(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;1-(3,4-dimethoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-(4-propan-2-ylphenyl)butan-1-one;1-(4-fluorophenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one

3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl(difluoro)methanesulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-(3-tert-butyl-4,5-dimethylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-3-methyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;bis(1,1-difluoro-2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethanesulfonate);1,1-difluoro-2-(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;1-(3,4-dimethoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-(4-propan-2-ylphenyl)butan-1-one;1-(4-fluorophenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one (PubChem CID 159659042) has the molecular formula C155H223F15N2O40S12 and a molecular weight of 3424.24 g/mol. Its IUPAC name is 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl(difluoro)methanesulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-(3-tert-butyl-4,5-dimethylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-3-methyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;bis(1,1-difluoro-2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethanesulfonate);1,1-difluoro-2-(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;1-(3,4-dimethoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-(4-propan-2-ylphenyl)butan-1-one;1-(4-fluorophenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one.

Molecular Properties

• Compound Name: 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl(difluoro)methanesulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-(3-tert-butyl-4,5-dimethylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-3-methyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;bis(1,1-difluoro-2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethanesulfonate);1,1-difluoro-2-(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;1-(3,4-dimethoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-(4-propan-2-ylphenyl)butan-1-one;1-(4-fluorophenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one
• PubChem CID: 159659042
• Molecular Formula: C155H223F15N2O40S12
• Molecular Weight: 3424.24 g/mol
• Exact Mass: 3421.19
• IUPAC Name: 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl(difluoro)methanesulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-(3-tert-butyl-4,5-dimethylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-3-methyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;bis(1,1-difluoro-2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethanesulfonate);1,1-difluoro-2-(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;1-(3,4-dimethoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-(4-propan-2-ylphenyl)butan-1-one;1-(4-fluorophenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one
• SMILES: CC(C)(C(=O)c1ccc(F)cc1)[S+]1CCOCC1.CC(C)C(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCOCC1.CC(C)c1ccc(C(=O)C([S+]2CCOCC2)C(C)(C)C)cc1.CC12CCC(C(=O)OCC(F)(F)S(=O)(=O)[O-])(CC1=O)C2(C)C.COc1ccc(C(=O)C([S+]2CCOCC2)C(C)(C)C)cc1OC.Cc1cc(C(=O)C([S+]2CCOCC2)C(C)(C)C)cc(C(C)(C)C)c1C.O=C(OCC12CC3CC(CC(O)(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=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.O=S(=O)([O-])C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1
• InChI: InChI=1S/C22H35O2S.C21H31O2S.C19H29O2S.C18H27O4S.C14H18FO2S.3C13H18F2O6S.C12H17F6NO5S2.C10H17F2NO5S2/c1-15-13-17(14-18(16(15)2)21(3,4)5)19(23)20(22(6,7)8)25-11-9-24-10-12-25;1-16(2)21(24-14-12-23-13-15-24)20(22)19-10-8-18(9-11-19)17-6-4-3-5-7-17;1-14(2)15-6-8-16(9-7-15)17(20)18(19(3,4)5)22-12-10-21-11-13-22;1-18(2,3)17(23-10-8-22-9-11-23)16(19)13-6-7-14(20-4)15(12-13)21-5;1-14(2,18-9-7-17-8-10-18)13(16)11-3-5-12(15)6-4-11;2*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;1-10(2)11(3)4-5-12(10,6-8(11)16)9(17)21-7-13(14,15)22(18,19)20;13-10(14,12(17,18)26(22,23)24)11(15,16)25(20,21)19-6-5-8-3-1-2-4-9(8)7-19;11-10(12,20(16,17)18)19(14,15)13-6-5-8-3-1-2-4-9(8)7-13/h13-14,20H,9-12H2,1-8H3;8-11,16-17,21H,3-7,12-15H2,1-2H3;6-9,14,18H,10-13H2,1-5H3;6-7,12,17H,8-11H2,1-5H3;3-6H,7-10H2,1-2H3;2*8-9,17H,1-7H2,(H,18,19,20);4-7H2,1-3H3,(H,18,19,20);8-9H,1-7H2,(H,22,23,24);8-9H,1-7H2,(H,16,17,18)/q5*+1;;;;;/p-5
• InChIKey: MSOCSBKCENQVTO-UHFFFAOYSA-I
• XLogP: 25.45
• TPSA: 647.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 40
• Rotatable Bonds: 40
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3424.24
LogP ≤ 5	25.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl(difluoro)methanesulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-(3-tert-butyl-4,5-dimethylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-3-methyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;bis(1,1-difluoro-2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethanesulfonate);1,1-difluoro-2-(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;1-(3,4-dimethoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-(4-propan-2-ylphenyl)butan-1-one;1-(4-fluorophenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one?

The IUPAC name of 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl(difluoro)methanesulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-(3-tert-butyl-4,5-dimethylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-3-methyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;bis(1,1-difluoro-2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethanesulfonate);1,1-difluoro-2-(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;1-(3,4-dimethoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-(4-propan-2-ylphenyl)butan-1-one;1-(4-fluorophenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one (CID 159659042) is 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl(difluoro)methanesulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-(3-tert-butyl-4,5-dimethylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-3-methyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;bis(1,1-difluoro-2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethanesulfonate);1,1-difluoro-2-(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;1-(3,4-dimethoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-(4-propan-2-ylphenyl)butan-1-one;1-(4-fluorophenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one.

What is the SMILES notation for 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl(difluoro)methanesulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-(3-tert-butyl-4,5-dimethylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-3-methyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;bis(1,1-difluoro-2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethanesulfonate);1,1-difluoro-2-(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;1-(3,4-dimethoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-(4-propan-2-ylphenyl)butan-1-one;1-(4-fluorophenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one?

The canonical SMILES for 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl(difluoro)methanesulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-(3-tert-butyl-4,5-dimethylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-3-methyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;bis(1,1-difluoro-2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethanesulfonate);1,1-difluoro-2-(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;1-(3,4-dimethoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-(4-propan-2-ylphenyl)butan-1-one;1-(4-fluorophenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one is CC(C)(C(=O)c1ccc(F)cc1)[S+]1CCOCC1.CC(C)C(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCOCC1.CC(C)c1ccc(C(=O)C([S+]2CCOCC2)C(C)(C)C)cc1.CC12CCC(C(=O)OCC(F)(F)S(=O)(=O)[O-])(CC1=O)C2(C)C.COc1ccc(C(=O)C([S+]2CCOCC2)C(C)(C)C)cc1OC.Cc1cc(C(=O)C([S+]2CCOCC2)C(C)(C)C)cc(C(C)(C)C)c1C.O=C(OCC12CC3CC(CC(O)(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=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.O=S(=O)([O-])C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.

What is the InChIKey of 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl(difluoro)methanesulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-(3-tert-butyl-4,5-dimethylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-3-methyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;bis(1,1-difluoro-2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethanesulfonate);1,1-difluoro-2-(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;1-(3,4-dimethoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-(4-propan-2-ylphenyl)butan-1-one;1-(4-fluorophenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one?

The InChIKey is MSOCSBKCENQVTO-UHFFFAOYSA-I. The full InChI is InChI=1S/C22H35O2S.C21H31O2S.C19H29O2S.C18H27O4S.C14H18FO2S.3C13H18F2O6S.C12H17F6NO5S2.C10H17F2NO5S2/c1-15-13-17(14-18(16(15)2)21(3,4)5)19(23)20(22(6,7)8)25-11-9-24-10-12-25;1-16(2)21(24-14-12-23-13-15-24)20(22)19-10-8-18(9-11-19)17-6-4-3-5-7-17;1-14(2)15-6-8-16(9-7-15)17(20)18(19(3,4)5)22-12-10-21-11-13-22;1-18(2,3)17(23-10-8-22-9-11-23)16(19)13-6-7-14(20-4)15(12-13)21-5;1-14(2,18-9-7-17-8-10-18)13(16)11-3-5-12(15)6-4-11;2*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;1-10(2)11(3)4-5-12(10,6-8(11)16)9(17)21-7-13(14,15)22(18,19)20;13-10(14,12(17,18)26(22,23)24)11(15,16)25(20,21)19-6-5-8-3-1-2-4-9(8)7-19;11-10(12,20(16,17)18)19(14,15)13-6-5-8-3-1-2-4-9(8)7-13/h13-14,20H,9-12H2,1-8H3;8-11,16-17,21H,3-7,12-15H2,1-2H3;6-9,14,18H,10-13H2,1-5H3;6-7,12,17H,8-11H2,1-5H3;3-6H,7-10H2,1-2H3;2*8-9,17H,1-7H2,(H,18,19,20);4-7H2,1-3H3,(H,18,19,20);8-9H,1-7H2,(H,22,23,24);8-9H,1-7H2,(H,16,17,18)/q5*+1;;;;;/p-5.

What are the key properties of 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl(difluoro)methanesulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-(3-tert-butyl-4,5-dimethylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-3-methyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;bis(1,1-difluoro-2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethanesulfonate);1,1-difluoro-2-(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;1-(3,4-dimethoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-(4-propan-2-ylphenyl)butan-1-one;1-(4-fluorophenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one?

3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl(difluoro)methanesulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-(3-tert-butyl-4,5-dimethylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-3-methyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;bis(1,1-difluoro-2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethanesulfonate);1,1-difluoro-2-(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;1-(3,4-dimethoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-(4-propan-2-ylphenyl)butan-1-one;1-(4-fluorophenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one has a molecular weight of 3424.24 g/mol, XLogP of 25.45, 40 rotatable bonds, 2 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl(difluoro)methanesulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-(3-tert-butyl-4,5-dimethylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-3-methyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;bis(1,1-difluoro-2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethanesulfonate);1,1-difluoro-2-(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;1-(3,4-dimethoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-(4-propan-2-ylphenyl)butan-1-one;1-(4-fluorophenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one is sourced from PubChem (CID 159659042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).