1-adamantyl-[4-(4-methylcyclohexyl)oxycyclohexa-1,3-dien-1-yl]-phenylsulfanium;3-(1-adamantylmethylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;2-[4,8-bis(cyclohexylmethoxy)naphthalen-1-yl]-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophen-2-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-[4-(cyclohexylmethoxy)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;1-[1-hydroxy-4-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;methyl 1-(2-cyclopentylethoxy)-4-(thiolan-1-ium-1-yl)naphthalene-2-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl cyclohexanecarboxylate;1,1,2,2,2-pentafluoroethylsulfonyl(1,1,2,2-tetrafluoropropylsulfonyl)azanide;3,3,4,4-tetrafluoropentyl adamantane-1-carboxylate;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane

C231H295F36NO41S17+2 — CID 159494235

IUPAC1-adamantyl-[4-(4-methylcyclohexyl)oxycyclohexa-1,3-dien-1-yl]-phenylsulfanium;3-(1-adamantylmethylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;2-[4,8-bis(cyclohexylmethoxy)naphthalen-1-yl]-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophen-2-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-[4-(cyclohexylmethoxy)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;1-[1-hydroxy-4-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;methyl 1-(2-cyclopentylethoxy)-4-(thiolan-1-ium-1-yl)naphthalene-2-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl cyclohexanecarboxylate;1,1,2,2,2-pentafluoroethylsulfonyl(1,1,2,2-tetrafluoropropylsulfonyl)azanide;3,3,4,4-tetrafluoropentyl adamantane-1-carboxylate;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane
SMILESCC(=O)c1cc([S+]2CCCC2)c2ccccc2c1O.CC(F)(F)C(F)(F)CCOC(=O)C12CC3CC(CC(C3)C1)C2.CC(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)F.CC(F)(F)C(OC(=O)C1CCCCC1)C(F)(F)F.CC1CCC(OC2=CC=C([S+](c3ccccc3)C34CC5CC(CC(C5)C3)C4)CC2)CC1.COC(=O)c1cc([S+]2CCCC2)c2ccccc2c1OCCC1CCCC1.CS(=O)(=O)[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.CS(=O)(=O)c1cccc2c(OC3CCCCC3)ccc([S+]3CCCCC3)c12.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)CC12CC3CC(CC(C3)C1)C2.O=S(=O)([O-])C(F)(F)C(F)(F)C1CC2CCC1C2.c1cc(OCC2CCCCC2)c2c([S+]3CC4CCCCC4C3)ccc(OCC3CCCCC3)c2c1.c1cc([S+]2CCCC2)ccc1OCC1CCCCC1.c1ccc2c([S+]3CCCC3)ccc(OCC3CCCCC3)c2c1
InChIInChI=1S/C32H45O2S.C29H39OS.C23H29O3S.C22H29O3S2.C21H27OS.C17H25OS.C16H22F4O2.C16H16O2S.C14H18F6O5S2.C12H14F2O6S.C11H15F5O2.C9H12F4O3S.C5H3F9NO4S2.C4H3F6O6S3/c1-3-10-24(11-4-1)20-33-29-18-19-31(35-22-26-14-7-8-15-27(26)23-35)32-28(29)16-9-17-30(32)34-21-25-12-5-2-6-13-25;1-21-7-9-25(10-8-21)30-26-11-13-28(14-12-26)31(27-5-3-2-4-6-27)29-18-22-15-23(19-29)17-24(16-22)20-29;1-25-23(24)20-16-21(27-14-6-7-15-27)18-10-4-5-11-19(18)22(20)26-13-12-17-8-2-3-9-17;1-27(23,24)21-12-8-11-18-19(25-17-9-4-2-5-10-17)13-14-20(22(18)21)26-15-6-3-7-16-26;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;1-2-6-15(7-3-1)14-18-16-8-10-17(11-9-16)19-12-4-5-13-19;1-14(17,18)16(19,20)2-3-22-13(21)15-7-10-4-11(8-15)6-12(5-10)9-15;1-11(17)14-10-15(19-8-4-5-9-19)12-6-2-3-7-13(12)16(14)18;15-12(16,14(19,20)27(23,24)25)13(17,18)26(21,22)7-11-4-8-1-9(5-11)3-10(2-8)6-11;13-12(14,21(17,18)19)10(16)20-11-3-6-1-7(4-11)9(15)8(2-6)5-11;1-10(12,13)9(11(14,15)16)18-8(17)7-5-3-2-4-6-7;10-8(11,9(12,13)17(14,15)16)7-4-5-1-2-6(7)3-5;1-2(6,7)4(11,12)20(16,17)15-21(18,19)5(13,14)3(8,9)10;1-17(11,12)2(18(13,14)3(5,6)7)19(15,16)4(8,9)10/h9,16-19,24-27H,1-8,10-15,20-23H2;2-6,11,13,21-25H,7-10,12,14-20H2,1H3;4-5,10-11,16-17H,2-3,6-9,12-15H2,1H3;8,11-14,17H,2-7,9-10,15-16H2,1H3;4-5,10-13,17H,1-3,6-9,14-16H2;8-11,15H,1-7,12-14H2;10-12H,2-9H2,1H3;2-3,6-7,10H,4-5,8-9H2,1H3;8-10H,1-7H2,(H,23,24,25);6-8H,1-5H2,(H,17,18,19);7,9H,2-6H2,1H3;5-7H,1-4H2,(H,14,15,16);1H3;1H3/q6*+1;;;;;;;2*-1/p-2
InChIKeyLYOSFIWTOHCUGD-UHFFFAOYSA-L
MW4970.93 g/mol
LogP57.21
Rot. Bonds60

About 1-adamantyl-[4-(4-methylcyclohexyl)oxycyclohexa-1,3-dien-1-yl]-phenylsulfanium;3-(1-adamantylmethylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;2-[4,8-bis(cyclohexylmethoxy)naphthalen-1-yl]-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophen-2-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-[4-(cyclohexylmethoxy)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;1-[1-hydroxy-4-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;methyl 1-(2-cyclopentylethoxy)-4-(thiolan-1-ium-1-yl)naphthalene-2-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl cyclohexanecarboxylate;1,1,2,2,2-pentafluoroethylsulfonyl(1,1,2,2-tetrafluoropropylsulfonyl)azanide;3,3,4,4-tetrafluoropentyl adamantane-1-carboxylate;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane

1-adamantyl-[4-(4-methylcyclohexyl)oxycyclohexa-1,3-dien-1-yl]-phenylsulfanium;3-(1-adamantylmethylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;2-[4,8-bis(cyclohexylmethoxy)naphthalen-1-yl]-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophen-2-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-[4-(cyclohexylmethoxy)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;1-[1-hydroxy-4-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;methyl 1-(2-cyclopentylethoxy)-4-(thiolan-1-ium-1-yl)naphthalene-2-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl cyclohexanecarboxylate;1,1,2,2,2-pentafluoroethylsulfonyl(1,1,2,2-tetrafluoropropylsulfonyl)azanide;3,3,4,4-tetrafluoropentyl adamantane-1-carboxylate;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane (PubChem CID 159494235) has the molecular formula C231H295F36NO41S17+2 and a molecular weight of 4970.93 g/mol. Its IUPAC name is 1-adamantyl-[4-(4-methylcyclohexyl)oxycyclohexa-1,3-dien-1-yl]-phenylsulfanium;3-(1-adamantylmethylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;2-[4,8-bis(cyclohexylmethoxy)naphthalen-1-yl]-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophen-2-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-[4-(cyclohexylmethoxy)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;1-[1-hydroxy-4-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;methyl 1-(2-cyclopentylethoxy)-4-(thiolan-1-ium-1-yl)naphthalene-2-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl cyclohexanecarboxylate;1,1,2,2,2-pentafluoroethylsulfonyl(1,1,2,2-tetrafluoropropylsulfonyl)azanide;3,3,4,4-tetrafluoropentyl adamantane-1-carboxylate;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane.

Molecular Properties

Compound Name1-adamantyl-[4-(4-methylcyclohexyl)oxycyclohexa-1,3-dien-1-yl]-phenylsulfanium;3-(1-adamantylmethylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;2-[4,8-bis(cyclohexylmethoxy)naphthalen-1-yl]-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophen-2-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-[4-(cyclohexylmethoxy)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;1-[1-hydroxy-4-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;methyl 1-(2-cyclopentylethoxy)-4-(thiolan-1-ium-1-yl)naphthalene-2-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl cyclohexanecarboxylate;1,1,2,2,2-pentafluoroethylsulfonyl(1,1,2,2-tetrafluoropropylsulfonyl)azanide;3,3,4,4-tetrafluoropentyl adamantane-1-carboxylate;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane
PubChem CID159494235
Molecular FormulaC231H295F36NO41S17+2
Molecular Weight4970.93 g/mol
Exact Mass4966.57
IUPAC Name1-adamantyl-[4-(4-methylcyclohexyl)oxycyclohexa-1,3-dien-1-yl]-phenylsulfanium;3-(1-adamantylmethylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;2-[4,8-bis(cyclohexylmethoxy)naphthalen-1-yl]-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophen-2-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-[4-(cyclohexylmethoxy)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;1-[1-hydroxy-4-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;methyl 1-(2-cyclopentylethoxy)-4-(thiolan-1-ium-1-yl)naphthalene-2-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl cyclohexanecarboxylate;1,1,2,2,2-pentafluoroethylsulfonyl(1,1,2,2-tetrafluoropropylsulfonyl)azanide;3,3,4,4-tetrafluoropentyl adamantane-1-carboxylate;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane
SMILESCC(=O)c1cc([S+]2CCCC2)c2ccccc2c1O.CC(F)(F)C(F)(F)CCOC(=O)C12CC3CC(CC(C3)C1)C2.CC(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)F.CC(F)(F)C(OC(=O)C1CCCCC1)C(F)(F)F.CC1CCC(OC2=CC=C([S+](c3ccccc3)C34CC5CC(CC(C5)C3)C4)CC2)CC1.COC(=O)c1cc([S+]2CCCC2)c2ccccc2c1OCCC1CCCC1.CS(=O)(=O)[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.CS(=O)(=O)c1cccc2c(OC3CCCCC3)ccc([S+]3CCCCC3)c12.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)CC12CC3CC(CC(C3)C1)C2.O=S(=O)([O-])C(F)(F)C(F)(F)C1CC2CCC1C2.c1cc(OCC2CCCCC2)c2c([S+]3CC4CCCCC4C3)ccc(OCC3CCCCC3)c2c1.c1cc([S+]2CCCC2)ccc1OCC1CCCCC1.c1ccc2c([S+]3CCCC3)ccc(OCC3CCCCC3)c2c1
InChIInChI=1S/C32H45O2S.C29H39OS.C23H29O3S.C22H29O3S2.C21H27OS.C17H25OS.C16H22F4O2.C16H16O2S.C14H18F6O5S2.C12H14F2O6S.C11H15F5O2.C9H12F4O3S.C5H3F9NO4S2.C4H3F6O6S3/c1-3-10-24(11-4-1)20-33-29-18-19-31(35-22-26-14-7-8-15-27(26)23-35)32-28(29)16-9-17-30(32)34-21-25-12-5-2-6-13-25;1-21-7-9-25(10-8-21)30-26-11-13-28(14-12-26)31(27-5-3-2-4-6-27)29-18-22-15-23(19-29)17-24(16-22)20-29;1-25-23(24)20-16-21(27-14-6-7-15-27)18-10-4-5-11-19(18)22(20)26-13-12-17-8-2-3-9-17;1-27(23,24)21-12-8-11-18-19(25-17-9-4-2-5-10-17)13-14-20(22(18)21)26-15-6-3-7-16-26;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;1-2-6-15(7-3-1)14-18-16-8-10-17(11-9-16)19-12-4-5-13-19;1-14(17,18)16(19,20)2-3-22-13(21)15-7-10-4-11(8-15)6-12(5-10)9-15;1-11(17)14-10-15(19-8-4-5-9-19)12-6-2-3-7-13(12)16(14)18;15-12(16,14(19,20)27(23,24)25)13(17,18)26(21,22)7-11-4-8-1-9(5-11)3-10(2-8)6-11;13-12(14,21(17,18)19)10(16)20-11-3-6-1-7(4-11)9(15)8(2-6)5-11;1-10(12,13)9(11(14,15)16)18-8(17)7-5-3-2-4-6-7;10-8(11,9(12,13)17(14,15)16)7-4-5-1-2-6(7)3-5;1-2(6,7)4(11,12)20(16,17)15-21(18,19)5(13,14)3(8,9)10;1-17(11,12)2(18(13,14)3(5,6)7)19(15,16)4(8,9)10/h9,16-19,24-27H,1-8,10-15,20-23H2;2-6,11,13,21-25H,7-10,12,14-20H2,1H3;4-5,10-11,16-17H,2-3,6-9,12-15H2,1H3;8,11-14,17H,2-7,9-10,15-16H2,1H3;4-5,10-13,17H,1-3,6-9,14-16H2;8-11,15H,1-7,12-14H2;10-12H,2-9H2,1H3;2-3,6-7,10H,4-5,8-9H2,1H3;8-10H,1-7H2,(H,23,24,25);6-8H,1-5H2,(H,17,18,19);7,9H,2-6H2,1H3;5-7H,1-4H2,(H,14,15,16);1H3;1H3/q6*+1;;;;;;;2*-1/p-2
InChIKeyLYOSFIWTOHCUGD-UHFFFAOYSA-L
XLogP57.21
TPSA648.86 Ų
H-Bond Donors1
H-Bond Acceptors41
Rotatable Bonds60
Heavy Atoms326
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004970.93
LogP ≤ 557.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1041

Analyze 1-adamantyl-[4-(4-methylcyclohexyl)oxycyclohexa-1,3-dien-1-yl]-phenylsulfanium;3-(1-adamantylmethylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;2-[4,8-bis(cyclohexylmethoxy)naphthalen-1-yl]-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophen-2-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-[4-(cyclohexylmethoxy)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;1-[1-hydroxy-4-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;methyl 1-(2-cyclopentylethoxy)-4-(thiolan-1-ium-1-yl)naphthalene-2-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl cyclohexanecarboxylate;1,1,2,2,2-pentafluoroethylsulfonyl(1,1,2,2-tetrafluoropropylsulfonyl)azanide;3,3,4,4-tetrafluoropentyl adamantane-1-carboxylate;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[4-(4-methylcyclohexyl)oxycyclohexa-1,3-dien-1-yl]-phenylsulfanium;3-(1-adamantylmethylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;2-[4,8-bis(cyclohexylmethoxy)naphthalen-1-yl]-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophen-2-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-[4-(cyclohexylmethoxy)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;1-[1-hydroxy-4-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;methyl 1-(2-cyclopentylethoxy)-4-(thiolan-1-ium-1-yl)naphthalene-2-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl cyclohexanecarboxylate;1,1,2,2,2-pentafluoroethylsulfonyl(1,1,2,2-tetrafluoropropylsulfonyl)azanide;3,3,4,4-tetrafluoropentyl adamantane-1-carboxylate;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane?
The IUPAC name of 1-adamantyl-[4-(4-methylcyclohexyl)oxycyclohexa-1,3-dien-1-yl]-phenylsulfanium;3-(1-adamantylmethylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;2-[4,8-bis(cyclohexylmethoxy)naphthalen-1-yl]-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophen-2-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-[4-(cyclohexylmethoxy)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;1-[1-hydroxy-4-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;methyl 1-(2-cyclopentylethoxy)-4-(thiolan-1-ium-1-yl)naphthalene-2-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl cyclohexanecarboxylate;1,1,2,2,2-pentafluoroethylsulfonyl(1,1,2,2-tetrafluoropropylsulfonyl)azanide;3,3,4,4-tetrafluoropentyl adamantane-1-carboxylate;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane (CID 159494235) is 1-adamantyl-[4-(4-methylcyclohexyl)oxycyclohexa-1,3-dien-1-yl]-phenylsulfanium;3-(1-adamantylmethylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;2-[4,8-bis(cyclohexylmethoxy)naphthalen-1-yl]-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophen-2-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-[4-(cyclohexylmethoxy)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;1-[1-hydroxy-4-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;methyl 1-(2-cyclopentylethoxy)-4-(thiolan-1-ium-1-yl)naphthalene-2-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl cyclohexanecarboxylate;1,1,2,2,2-pentafluoroethylsulfonyl(1,1,2,2-tetrafluoropropylsulfonyl)azanide;3,3,4,4-tetrafluoropentyl adamantane-1-carboxylate;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane.
What is the SMILES notation for 1-adamantyl-[4-(4-methylcyclohexyl)oxycyclohexa-1,3-dien-1-yl]-phenylsulfanium;3-(1-adamantylmethylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;2-[4,8-bis(cyclohexylmethoxy)naphthalen-1-yl]-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophen-2-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-[4-(cyclohexylmethoxy)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;1-[1-hydroxy-4-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;methyl 1-(2-cyclopentylethoxy)-4-(thiolan-1-ium-1-yl)naphthalene-2-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl cyclohexanecarboxylate;1,1,2,2,2-pentafluoroethylsulfonyl(1,1,2,2-tetrafluoropropylsulfonyl)azanide;3,3,4,4-tetrafluoropentyl adamantane-1-carboxylate;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane?
The canonical SMILES for 1-adamantyl-[4-(4-methylcyclohexyl)oxycyclohexa-1,3-dien-1-yl]-phenylsulfanium;3-(1-adamantylmethylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;2-[4,8-bis(cyclohexylmethoxy)naphthalen-1-yl]-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophen-2-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-[4-(cyclohexylmethoxy)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;1-[1-hydroxy-4-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;methyl 1-(2-cyclopentylethoxy)-4-(thiolan-1-ium-1-yl)naphthalene-2-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl cyclohexanecarboxylate;1,1,2,2,2-pentafluoroethylsulfonyl(1,1,2,2-tetrafluoropropylsulfonyl)azanide;3,3,4,4-tetrafluoropentyl adamantane-1-carboxylate;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane is CC(=O)c1cc([S+]2CCCC2)c2ccccc2c1O.CC(F)(F)C(F)(F)CCOC(=O)C12CC3CC(CC(C3)C1)C2.CC(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)F.CC(F)(F)C(OC(=O)C1CCCCC1)C(F)(F)F.CC1CCC(OC2=CC=C([S+](c3ccccc3)C34CC5CC(CC(C5)C3)C4)CC2)CC1.COC(=O)c1cc([S+]2CCCC2)c2ccccc2c1OCCC1CCCC1.CS(=O)(=O)[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.CS(=O)(=O)c1cccc2c(OC3CCCCC3)ccc([S+]3CCCCC3)c12.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)CC12CC3CC(CC(C3)C1)C2.O=S(=O)([O-])C(F)(F)C(F)(F)C1CC2CCC1C2.c1cc(OCC2CCCCC2)c2c([S+]3CC4CCCCC4C3)ccc(OCC3CCCCC3)c2c1.c1cc([S+]2CCCC2)ccc1OCC1CCCCC1.c1ccc2c([S+]3CCCC3)ccc(OCC3CCCCC3)c2c1.
What is the InChIKey of 1-adamantyl-[4-(4-methylcyclohexyl)oxycyclohexa-1,3-dien-1-yl]-phenylsulfanium;3-(1-adamantylmethylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;2-[4,8-bis(cyclohexylmethoxy)naphthalen-1-yl]-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophen-2-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-[4-(cyclohexylmethoxy)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;1-[1-hydroxy-4-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;methyl 1-(2-cyclopentylethoxy)-4-(thiolan-1-ium-1-yl)naphthalene-2-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl cyclohexanecarboxylate;1,1,2,2,2-pentafluoroethylsulfonyl(1,1,2,2-tetrafluoropropylsulfonyl)azanide;3,3,4,4-tetrafluoropentyl adamantane-1-carboxylate;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane?
The InChIKey is LYOSFIWTOHCUGD-UHFFFAOYSA-L. The full InChI is InChI=1S/C32H45O2S.C29H39OS.C23H29O3S.C22H29O3S2.C21H27OS.C17H25OS.C16H22F4O2.C16H16O2S.C14H18F6O5S2.C12H14F2O6S.C11H15F5O2.C9H12F4O3S.C5H3F9NO4S2.C4H3F6O6S3/c1-3-10-24(11-4-1)20-33-29-18-19-31(35-22-26-14-7-8-15-27(26)23-35)32-28(29)16-9-17-30(32)34-21-25-12-5-2-6-13-25;1-21-7-9-25(10-8-21)30-26-11-13-28(14-12-26)31(27-5-3-2-4-6-27)29-18-22-15-23(19-29)17-24(16-22)20-29;1-25-23(24)20-16-21(27-14-6-7-15-27)18-10-4-5-11-19(18)22(20)26-13-12-17-8-2-3-9-17;1-27(23,24)21-12-8-11-18-19(25-17-9-4-2-5-10-17)13-14-20(22(18)21)26-15-6-3-7-16-26;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;1-2-6-15(7-3-1)14-18-16-8-10-17(11-9-16)19-12-4-5-13-19;1-14(17,18)16(19,20)2-3-22-13(21)15-7-10-4-11(8-15)6-12(5-10)9-15;1-11(17)14-10-15(19-8-4-5-9-19)12-6-2-3-7-13(12)16(14)18;15-12(16,14(19,20)27(23,24)25)13(17,18)26(21,22)7-11-4-8-1-9(5-11)3-10(2-8)6-11;13-12(14,21(17,18)19)10(16)20-11-3-6-1-7(4-11)9(15)8(2-6)5-11;1-10(12,13)9(11(14,15)16)18-8(17)7-5-3-2-4-6-7;10-8(11,9(12,13)17(14,15)16)7-4-5-1-2-6(7)3-5;1-2(6,7)4(11,12)20(16,17)15-21(18,19)5(13,14)3(8,9)10;1-17(11,12)2(18(13,14)3(5,6)7)19(15,16)4(8,9)10/h9,16-19,24-27H,1-8,10-15,20-23H2;2-6,11,13,21-25H,7-10,12,14-20H2,1H3;4-5,10-11,16-17H,2-3,6-9,12-15H2,1H3;8,11-14,17H,2-7,9-10,15-16H2,1H3;4-5,10-13,17H,1-3,6-9,14-16H2;8-11,15H,1-7,12-14H2;10-12H,2-9H2,1H3;2-3,6-7,10H,4-5,8-9H2,1H3;8-10H,1-7H2,(H,23,24,25);6-8H,1-5H2,(H,17,18,19);7,9H,2-6H2,1H3;5-7H,1-4H2,(H,14,15,16);1H3;1H3/q6*+1;;;;;;;2*-1/p-2.
What are the key properties of 1-adamantyl-[4-(4-methylcyclohexyl)oxycyclohexa-1,3-dien-1-yl]-phenylsulfanium;3-(1-adamantylmethylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;2-[4,8-bis(cyclohexylmethoxy)naphthalen-1-yl]-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophen-2-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-[4-(cyclohexylmethoxy)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;1-[1-hydroxy-4-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;methyl 1-(2-cyclopentylethoxy)-4-(thiolan-1-ium-1-yl)naphthalene-2-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl cyclohexanecarboxylate;1,1,2,2,2-pentafluoroethylsulfonyl(1,1,2,2-tetrafluoropropylsulfonyl)azanide;3,3,4,4-tetrafluoropentyl adamantane-1-carboxylate;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane?
1-adamantyl-[4-(4-methylcyclohexyl)oxycyclohexa-1,3-dien-1-yl]-phenylsulfanium;3-(1-adamantylmethylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;2-[4,8-bis(cyclohexylmethoxy)naphthalen-1-yl]-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophen-2-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-[4-(cyclohexylmethoxy)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;1-[1-hydroxy-4-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;methyl 1-(2-cyclopentylethoxy)-4-(thiolan-1-ium-1-yl)naphthalene-2-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl cyclohexanecarboxylate;1,1,2,2,2-pentafluoroethylsulfonyl(1,1,2,2-tetrafluoropropylsulfonyl)azanide;3,3,4,4-tetrafluoropentyl adamantane-1-carboxylate;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane has a molecular weight of 4970.93 g/mol, XLogP of 57.21, 60 rotatable bonds, 1 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[4-(4-methylcyclohexyl)oxycyclohexa-1,3-dien-1-yl]-phenylsulfanium;3-(1-adamantylmethylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;2-[4,8-bis(cyclohexylmethoxy)naphthalen-1-yl]-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophen-2-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-[4-(cyclohexylmethoxy)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;1-[1-hydroxy-4-(thiolan-1-ium-1-yl)naphthalen-2-yl]ethanone;methyl 1-(2-cyclopentylethoxy)-4-(thiolan-1-ium-1-yl)naphthalene-2-carboxylate;1,1,1,3,3-pentafluorobutan-2-yl cyclohexanecarboxylate;1,1,2,2,2-pentafluoroethylsulfonyl(1,1,2,2-tetrafluoropropylsulfonyl)azanide;3,3,4,4-tetrafluoropentyl adamantane-1-carboxylate;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane is sourced from PubChem (CID 159494235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).