About [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-adamantyl-(4-cyclohexyloxyphenyl)-phenylsulfanium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;1-[2-(1-cyclopropylethoxy)naphthalen-1-yl]thiolan-1-ium;1-[4,8-di(cycloheptyloxy)naphthalen-1-yl]thiolan-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-adamantyl-(4-cyclohexyloxyphenyl)-phenylsulfanium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;1-[2-(1-cyclopropylethoxy)naphthalen-1-yl]thiolan-1-ium;1-[4,8-di(cycloheptyloxy)naphthalen-1-yl]thiolan-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide (PubChem CID 158583794) has the molecular formula C170H214F25N5O32S14
and a molecular weight of 3763.47 g/mol. Its IUPAC name is [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-adamantyl-(4-cyclohexyloxyphenyl)-phenylsulfanium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;1-[2-(1-cyclopropylethoxy)naphthalen-1-yl]thiolan-1-ium;1-[4,8-di(cycloheptyloxy)naphthalen-1-yl]thiolan-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide.
Frequently Asked Questions
What is the IUPAC name of [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-adamantyl-(4-cyclohexyloxyphenyl)-phenylsulfanium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;1-[2-(1-cyclopropylethoxy)naphthalen-1-yl]thiolan-1-ium;1-[4,8-di(cycloheptyloxy)naphthalen-1-yl]thiolan-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide?
The IUPAC name of [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-adamantyl-(4-cyclohexyloxyphenyl)-phenylsulfanium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;1-[2-(1-cyclopropylethoxy)naphthalen-1-yl]thiolan-1-ium;1-[4,8-di(cycloheptyloxy)naphthalen-1-yl]thiolan-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide (CID 158583794) is [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-adamantyl-(4-cyclohexyloxyphenyl)-phenylsulfanium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;1-[2-(1-cyclopropylethoxy)naphthalen-1-yl]thiolan-1-ium;1-[4,8-di(cycloheptyloxy)naphthalen-1-yl]thiolan-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide.
What is the SMILES notation for [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-adamantyl-(4-cyclohexyloxyphenyl)-phenylsulfanium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;1-[2-(1-cyclopropylethoxy)naphthalen-1-yl]thiolan-1-ium;1-[4,8-di(cycloheptyloxy)naphthalen-1-yl]thiolan-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide?
The canonical SMILES for [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-adamantyl-(4-cyclohexyloxyphenyl)-phenylsulfanium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;1-[2-(1-cyclopropylethoxy)naphthalen-1-yl]thiolan-1-ium;1-[4,8-di(cycloheptyloxy)naphthalen-1-yl]thiolan-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide is CC(=O)c1ccc2c(OC3CCCCC3)ccc([S+]3CCCCC3)c2c1.CC(Oc1ccc2ccccc2c1[S+]1CCCC1)C1CC1.O=C(N1CCC2CCCCC2C1)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.O=C1C2CC3CC1CC(OC(=O)C(F)(F)S(=O)(=O)[O-])(C3)C2.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCC2CCCCC21.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.c1cc(OC2CCCCCC2)c2c([S+]3CCCC3)ccc(OC3CCCCCC3)c2c1.c1ccc([S+](c2ccc(OC3CCCCC3)cc2)C23CC4CC(CC(C4)C2)C3)cc1.c1ccc2c([S+]3CCCC3)ccc(OCC3CCCCC3)c2c1.
What is the InChIKey of [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-adamantyl-(4-cyclohexyloxyphenyl)-phenylsulfanium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;1-[2-(1-cyclopropylethoxy)naphthalen-1-yl]thiolan-1-ium;1-[4,8-di(cycloheptyloxy)naphthalen-1-yl]thiolan-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide?
The InChIKey is HTOPGMFVWSZEKD-UHFFFAOYSA-K. The full InChI is InChI=1S/C28H39O2S.C28H35OS.C23H29O2S.C21H27OS.C19H23OS.2C12H17F6NO5S2.C12H16F5N2O5S2.C12H14F2O6S.C3F6NO4S2/c1-2-6-13-22(12-5-1)29-25-18-19-27(31-20-9-10-21-31)28-24(25)16-11-17-26(28)30-23-14-7-3-4-8-15-23;1-3-7-24(8-4-1)29-25-11-13-27(14-12-25)30(26-9-5-2-6-10-26)28-18-21-15-22(19-28)17-23(16-21)20-28;1-17(24)18-10-11-20-21(16-18)23(26-14-6-3-7-15-26)13-12-22(20)25-19-8-4-2-5-9-19;1-2-8-17(9-3-1)16-22-20-12-13-21(23-14-6-7-15-23)19-11-5-4-10-18(19)20;1-14(15-8-9-15)20-18-11-10-16-6-2-3-7-17(16)19(18)21-12-4-5-13-21;13-10(14,12(17,18)26(22,23)24)11(15,16)25(20,21)19-7-3-5-8-4-1-2-6-9(8)19;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;13-11(14,25(21,22)18-26(23,24)12(15,16)17)10(20)19-6-5-8-3-1-2-4-9(8)7-19;13-12(14,21(17,18)19)10(16)20-11-3-6-1-7(4-11)9(15)8(2-6)5-11;4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9/h11,16-19,22-23H,1-10,12-15,20-21H2;2,5-6,9-14,21-24H,1,3-4,7-8,15-20H2;10-13,16,19H,2-9,14-15H2,1H3;4-5,10-13,17H,1-3,6-9,14-16H2;2-3,6-7,10-11,14-15H,4-5,8-9,12-13H2,1H3;2*8-9H,1-7H2,(H,22,23,24);8-9H,1-7H2;6-8H,1-5H2,(H,17,18,19);/q5*+1;;;-1;;-1/p-3.
What are the key properties of [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-adamantyl-(4-cyclohexyloxyphenyl)-phenylsulfanium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;1-[2-(1-cyclopropylethoxy)naphthalen-1-yl]thiolan-1-ium;1-[4,8-di(cycloheptyloxy)naphthalen-1-yl]thiolan-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide?
[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-adamantyl-(4-cyclohexyloxyphenyl)-phenylsulfanium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;1-[2-(1-cyclopropylethoxy)naphthalen-1-yl]thiolan-1-ium;1-[4,8-di(cycloheptyloxy)naphthalen-1-yl]thiolan-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide has a molecular weight of 3763.47 g/mol, XLogP of 39.86, 39 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-adamantyl-(4-cyclohexyloxyphenyl)-phenylsulfanium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-[5-cyclohexyloxy-8-(thian-1-ium-1-yl)naphthalen-2-yl]ethanone;1-[2-(1-cyclopropylethoxy)naphthalen-1-yl]thiolan-1-ium;1-[4,8-di(cycloheptyloxy)naphthalen-1-yl]thiolan-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide is sourced from PubChem (CID 158583794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).