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;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(4-butylsulfonylthiomorpholin-1-ium-1-yl)-1-(4-phenoxyphenyl)butan-1-one;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(2,3-dihydro-1-benzofuran-5-yl)-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-phenoxyphenyl)butan-1-one;2-(1,4-oxathian-4-ium-4-yl)-1-(4-phenoxyphenyl)butan-1-one

C165H213F20N3O42S13 — CID 158675401

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;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(4-butylsulfonylthiomorpholin-1-ium-1-yl)-1-(4-phenoxyphenyl)butan-1-one;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(2,3-dihydro-1-benzofuran-5-yl)-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-phenoxyphenyl)butan-1-one;2-(1,4-oxathian-4-ium-4-yl)-1-(4-phenoxyphenyl)butan-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;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(4-butylsulfonylthiomorpholin-1-ium-1-yl)-1-(4-phenoxyphenyl)butan-1-one;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(2,3-dihydro-1-benzofuran-5-yl)-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-phenoxyphenyl)butan-1-one;2-(1,4-oxathian-4-ium-4-yl)-1-(4-phenoxyphenyl)butan-1-one (PubChem CID 158675401) has the molecular formula C165H213F20N3O42S13 and a molecular weight of 3707.33 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;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(4-butylsulfonylthiomorpholin-1-ium-1-yl)-1-(4-phenoxyphenyl)butan-1-one;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(2,3-dihydro-1-benzofuran-5-yl)-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-phenoxyphenyl)butan-1-one;2-(1,4-oxathian-4-ium-4-yl)-1-(4-phenoxyphenyl)butan-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;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(4-butylsulfonylthiomorpholin-1-ium-1-yl)-1-(4-phenoxyphenyl)butan-1-one;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(2,3-dihydro-1-benzofuran-5-yl)-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-phenoxyphenyl)butan-1-one;2-(1,4-oxathian-4-ium-4-yl)-1-(4-phenoxyphenyl)butan-1-one
• PubChem CID: 158675401
• Molecular Formula: C165H213F20N3O42S13
• Molecular Weight: 3707.33 g/mol
• Exact Mass: 3704.07
• 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;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(4-butylsulfonylthiomorpholin-1-ium-1-yl)-1-(4-phenoxyphenyl)butan-1-one;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(2,3-dihydro-1-benzofuran-5-yl)-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-phenoxyphenyl)butan-1-one;2-(1,4-oxathian-4-ium-4-yl)-1-(4-phenoxyphenyl)butan-1-one
• SMILES: CC(C)(C)C(C(=O)c1ccc(Oc2ccccc2)cc1)[S+]1CCOCC1.CC(C)(C)C(C(=O)c1ccc2c(c1)CCO2)[S+]1CCOCC1.CC(C)(C)C(C(=O)c1ccc2c(c1)OCCO2)[S+]1CCOCC1.CCC(C(=O)c1ccc(Oc2ccccc2)cc1)[S+]1CCOCC1.CCCCS(=O)(=O)N1CC[S+](C(CC)C(=O)c2ccc(Oc3ccccc3)cc2)CC1.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCC12CC3CC(CC(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/C24H32NO4S2.C22H27O3S.C20H23O3S.C18H25O4S.C18H25O3S.2C14H17F5O5S.C13H18F2O5S.C12H17F6NO5S2.C10H17F2NO5S2/c1-3-5-19-31(27,28)25-15-17-30(18-16-25)23(4-2)24(26)20-11-13-22(14-12-20)29-21-9-7-6-8-10-21;1-22(2,3)21(26-15-13-24-14-16-26)20(23)17-9-11-19(12-10-17)25-18-7-5-4-6-8-18;1-2-19(24-14-12-22-13-15-24)20(21)16-8-10-18(11-9-16)23-17-6-4-3-5-7-17;1-18(2,3)17(23-10-8-20-9-11-23)16(19)13-4-5-14-15(12-13)22-7-6-21-14;1-18(2,3)17(22-10-8-20-9-11-22)16(19)14-4-5-15-13(12-14)6-7-21-15;2*15-13(16,17)10(14(18,19)25(21,22)23)24-11(20)12-4-7-1-8(5-12)3-9(2-7)6-12;14-13(15,21(17,18)19)11(16)20-7-12-4-8-1-9(5-12)3-10(2-8)6-12;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/h6-14,23H,3-5,15-19H2,1-2H3;4-12,21H,13-16H2,1-3H3;3-11,19H,2,12-15H2,1H3;4-5,12,17H,6-11H2,1-3H3;4-5,12,17H,6-11H2,1-3H3;2*7-10H,1-6H2,(H,21,22,23);8-10H,1-7H2,(H,17,18,19);8-9H,1-7H2,(H,22,23,24);8-9H,1-7H2,(H,16,17,18)/q5*+1;;;;;/p-5
• InChIKey: IELIYLASSQBVKL-UHFFFAOYSA-I
• XLogP: 29.52
• TPSA: 654.69 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 47
• Heavy Atoms: 243
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3707.33
LogP ≤ 5	29.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

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;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(4-butylsulfonylthiomorpholin-1-ium-1-yl)-1-(4-phenoxyphenyl)butan-1-one;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(2,3-dihydro-1-benzofuran-5-yl)-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-phenoxyphenyl)butan-1-one;2-(1,4-oxathian-4-ium-4-yl)-1-(4-phenoxyphenyl)butan-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;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(4-butylsulfonylthiomorpholin-1-ium-1-yl)-1-(4-phenoxyphenyl)butan-1-one;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(2,3-dihydro-1-benzofuran-5-yl)-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-phenoxyphenyl)butan-1-one;2-(1,4-oxathian-4-ium-4-yl)-1-(4-phenoxyphenyl)butan-1-one (CID 158675401) 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;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(4-butylsulfonylthiomorpholin-1-ium-1-yl)-1-(4-phenoxyphenyl)butan-1-one;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(2,3-dihydro-1-benzofuran-5-yl)-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-phenoxyphenyl)butan-1-one;2-(1,4-oxathian-4-ium-4-yl)-1-(4-phenoxyphenyl)butan-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;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(4-butylsulfonylthiomorpholin-1-ium-1-yl)-1-(4-phenoxyphenyl)butan-1-one;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(2,3-dihydro-1-benzofuran-5-yl)-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-phenoxyphenyl)butan-1-one;2-(1,4-oxathian-4-ium-4-yl)-1-(4-phenoxyphenyl)butan-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;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(4-butylsulfonylthiomorpholin-1-ium-1-yl)-1-(4-phenoxyphenyl)butan-1-one;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(2,3-dihydro-1-benzofuran-5-yl)-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-phenoxyphenyl)butan-1-one;2-(1,4-oxathian-4-ium-4-yl)-1-(4-phenoxyphenyl)butan-1-one is CC(C)(C)C(C(=O)c1ccc(Oc2ccccc2)cc1)[S+]1CCOCC1.CC(C)(C)C(C(=O)c1ccc2c(c1)CCO2)[S+]1CCOCC1.CC(C)(C)C(C(=O)c1ccc2c(c1)OCCO2)[S+]1CCOCC1.CCC(C(=O)c1ccc(Oc2ccccc2)cc1)[S+]1CCOCC1.CCCCS(=O)(=O)N1CC[S+](C(CC)C(=O)c2ccc(Oc3ccccc3)cc2)CC1.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCC12CC3CC(CC(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;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(4-butylsulfonylthiomorpholin-1-ium-1-yl)-1-(4-phenoxyphenyl)butan-1-one;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(2,3-dihydro-1-benzofuran-5-yl)-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-phenoxyphenyl)butan-1-one;2-(1,4-oxathian-4-ium-4-yl)-1-(4-phenoxyphenyl)butan-1-one?

The InChIKey is IELIYLASSQBVKL-UHFFFAOYSA-I. The full InChI is InChI=1S/C24H32NO4S2.C22H27O3S.C20H23O3S.C18H25O4S.C18H25O3S.2C14H17F5O5S.C13H18F2O5S.C12H17F6NO5S2.C10H17F2NO5S2/c1-3-5-19-31(27,28)25-15-17-30(18-16-25)23(4-2)24(26)20-11-13-22(14-12-20)29-21-9-7-6-8-10-21;1-22(2,3)21(26-15-13-24-14-16-26)20(23)17-9-11-19(12-10-17)25-18-7-5-4-6-8-18;1-2-19(24-14-12-22-13-15-24)20(21)16-8-10-18(11-9-16)23-17-6-4-3-5-7-17;1-18(2,3)17(23-10-8-20-9-11-23)16(19)13-4-5-14-15(12-13)22-7-6-21-14;1-18(2,3)17(22-10-8-20-9-11-22)16(19)14-4-5-15-13(12-14)6-7-21-15;2*15-13(16,17)10(14(18,19)25(21,22)23)24-11(20)12-4-7-1-8(5-12)3-9(2-7)6-12;14-13(15,21(17,18)19)11(16)20-7-12-4-8-1-9(5-12)3-10(2-8)6-12;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/h6-14,23H,3-5,15-19H2,1-2H3;4-12,21H,13-16H2,1-3H3;3-11,19H,2,12-15H2,1H3;4-5,12,17H,6-11H2,1-3H3;4-5,12,17H,6-11H2,1-3H3;2*7-10H,1-6H2,(H,21,22,23);8-10H,1-7H2,(H,17,18,19);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;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(4-butylsulfonylthiomorpholin-1-ium-1-yl)-1-(4-phenoxyphenyl)butan-1-one;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(2,3-dihydro-1-benzofuran-5-yl)-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-phenoxyphenyl)butan-1-one;2-(1,4-oxathian-4-ium-4-yl)-1-(4-phenoxyphenyl)butan-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;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(4-butylsulfonylthiomorpholin-1-ium-1-yl)-1-(4-phenoxyphenyl)butan-1-one;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(2,3-dihydro-1-benzofuran-5-yl)-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-phenoxyphenyl)butan-1-one;2-(1,4-oxathian-4-ium-4-yl)-1-(4-phenoxyphenyl)butan-1-one has a molecular weight of 3707.33 g/mol, XLogP of 29.52, 47 rotatable bonds, 0 hydrogen bond donors, and 42 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;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(4-butylsulfonylthiomorpholin-1-ium-1-yl)-1-(4-phenoxyphenyl)butan-1-one;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(2,3-dihydro-1-benzofuran-5-yl)-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-phenoxyphenyl)butan-1-one;2-(1,4-oxathian-4-ium-4-yl)-1-(4-phenoxyphenyl)butan-1-one is sourced from PubChem (CID 158675401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).