1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl-(2-methyl-1-oxo-1-propoxybutan-2-yl)-(4-methylphenyl)sulfanium;4-acetyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;3-(1-adamantyloxy)-1,1,2-trifluoropropane-1-sulfonate;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;4-cyclohexyloxy-1,1,2-trifluorobutane-1-sulfonate;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-1-benzothiophen-1-ium;3-(thiolan-1-ium-1-yl)-1-benzothiophene;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;1,1,2-trifluoro-4-propanoyloxybutane-1-sulfonate;1,1,2-trifluoro-4-(tricyclo[5.2.1.02,6]decane-8-carbonyloxy)butane-1-sulfonate

C228H299F28NO44S17 — CID 162146654

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl-(2-methyl-1-oxo-1-propoxybutan-2-yl)-(4-methylphenyl)sulfanium;4-acetyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;3-(1-adamantyloxy)-1,1,2-trifluoropropane-1-sulfonate;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;4-cyclohexyloxy-1,1,2-trifluorobutane-1-sulfonate;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-1-benzothiophen-1-ium;3-(thiolan-1-ium-1-yl)-1-benzothiophene;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;1,1,2-trifluoro-4-propanoyloxybutane-1-sulfonate;1,1,2-trifluoro-4-(tricyclo[5.2.1.02,6]decane-8-carbonyloxy)butane-1-sulfonate
SMILESCC(=O)OCCC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CC(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CCC(=O)OCCC(F)C(F)(F)S(=O)(=O)[O-].CCCOC(=O)C(C)(CC)[S+](CC1CCC2CCCCC2C1)c1ccc(C)cc1.Cn1cc([S+]2CCCC2)c2ccccc21.O=C(OC(F)C(F)(F)S(=O)(=O)[O-])C1CC2CCC1C2.O=C(OCCC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCCC(F)C(F)(F)S(=O)(=O)[O-])C1CC2CC1C1CCCC21.O=C(OCCC(F)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.O=S(=O)([O-])C(F)(F)C(F)CCOC1CCCCC1.O=S(=O)([O-])C(F)(F)C(F)COC12CC3CC(CC(C3)C1)C2.Oc1ccc([S+]2CCCC2)c2ccccc12.c1ccc(-[s+]2ccc3ccccc32)cc1.c1ccc2c([S+]3CCCC3)ccc(OCC3CCCCC3)c2c1.c1ccc2c([S+]3CCCC3)csc2c1
InChIInChI=1S/C26H41O2S.C21H27OS.C20H29OS.C19H27OS.C16H21F5O5S.C15H21F3O5S.C14H14OS.C14H11S.C13H19F3O4S.C13H16NS.C12H13S2.C11H17F3O5S.C10H13F3O5S.C10H17F3O4S.C7H9F5O5S.C7H11F3O5S/c1-5-17-28-25(27)26(4,6-2)29(24-15-11-20(3)12-16-24)19-21-13-14-22-9-7-8-10-23(22)18-21;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;1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;1-15(21-13-5-6-14-21)19(20)18-11-9-17(10-12-18)16-7-3-2-4-8-16;17-15(18,19)12(16(20,21)27(23,24)25)1-2-26-13(22)14-6-9-3-10(7-14)5-11(4-9)8-14;16-13(15(17,18)24(20,21)22)4-5-23-14(19)12-7-8-6-11(12)10-3-1-2-9(8)10;15-13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13;1-2-7-13(8-3-1)15-11-10-12-6-4-5-9-14(12)15;14-11(13(15,16)21(17,18)19)7-20-12-4-8-1-9(5-12)3-10(2-8)6-12;1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;1-2-6-11-10(5-1)12(9-13-11)14-7-3-4-8-14;12-9(11(13,14)20(16,17)18)6-7-19-10(15)8-4-2-1-3-5-8;11-9(10(12,13)19(15,16)17)18-8(14)7-4-5-1-2-6(7)3-5;11-9(10(12,13)18(14,15)16)6-7-17-8-4-2-1-3-5-8;1-4(13)17-3-2-5(6(8,9)10)7(11,12)18(14,15)16;1-2-6(11)15-4-3-5(8)7(9,10)16(12,13)14/h11-12,15-16,21-23H,5-10,13-14,17-19H2,1-4H3;4-5,10-13,17H,1-3,6-9,14-16H2;10-13,16H,3-9,14-15H2,1-2H3;9-12,15-16H,2-8,13-14H2,1H3;9-12H,1-8H2,(H,23,24,25);8-13H,1-7H2,(H,20,21,22);1-2,5-8H,3-4,9-10H2;1-11H;8-11H,1-7H2,(H,17,18,19);2-3,6-7,10H,4-5,8-9H2,1H3;1-2,5-6,9H,3-4,7-8H2;8-9H,1-7H2,(H,16,17,18);5-7,9H,1-4H2,(H,15,16,17);8-9H,1-7H2,(H,14,15,16);5H,2-3H2,1H3,(H,14,15,16);5H,2-4H2,1H3,(H,12,13,14)/q4*+1;;;;+1;;2*+1;;;;;/p-7
InChIKeyZKQKWVCTIZHKQR-UHFFFAOYSA-G
MW4834.95 g/mol
LogP52.62
Rot. Bonds68

About 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl-(2-methyl-1-oxo-1-propoxybutan-2-yl)-(4-methylphenyl)sulfanium;4-acetyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;3-(1-adamantyloxy)-1,1,2-trifluoropropane-1-sulfonate;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;4-cyclohexyloxy-1,1,2-trifluorobutane-1-sulfonate;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-1-benzothiophen-1-ium;3-(thiolan-1-ium-1-yl)-1-benzothiophene;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;1,1,2-trifluoro-4-propanoyloxybutane-1-sulfonate;1,1,2-trifluoro-4-(tricyclo[5.2.1.02,6]decane-8-carbonyloxy)butane-1-sulfonate

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl-(2-methyl-1-oxo-1-propoxybutan-2-yl)-(4-methylphenyl)sulfanium;4-acetyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;3-(1-adamantyloxy)-1,1,2-trifluoropropane-1-sulfonate;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;4-cyclohexyloxy-1,1,2-trifluorobutane-1-sulfonate;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-1-benzothiophen-1-ium;3-(thiolan-1-ium-1-yl)-1-benzothiophene;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;1,1,2-trifluoro-4-propanoyloxybutane-1-sulfonate;1,1,2-trifluoro-4-(tricyclo[5.2.1.02,6]decane-8-carbonyloxy)butane-1-sulfonate (PubChem CID 162146654) has the molecular formula C228H299F28NO44S17 and a molecular weight of 4834.95 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl-(2-methyl-1-oxo-1-propoxybutan-2-yl)-(4-methylphenyl)sulfanium;4-acetyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;3-(1-adamantyloxy)-1,1,2-trifluoropropane-1-sulfonate;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;4-cyclohexyloxy-1,1,2-trifluorobutane-1-sulfonate;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-1-benzothiophen-1-ium;3-(thiolan-1-ium-1-yl)-1-benzothiophene;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;1,1,2-trifluoro-4-propanoyloxybutane-1-sulfonate;1,1,2-trifluoro-4-(tricyclo[5.2.1.02,6]decane-8-carbonyloxy)butane-1-sulfonate.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl-(2-methyl-1-oxo-1-propoxybutan-2-yl)-(4-methylphenyl)sulfanium;4-acetyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;3-(1-adamantyloxy)-1,1,2-trifluoropropane-1-sulfonate;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;4-cyclohexyloxy-1,1,2-trifluorobutane-1-sulfonate;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-1-benzothiophen-1-ium;3-(thiolan-1-ium-1-yl)-1-benzothiophene;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;1,1,2-trifluoro-4-propanoyloxybutane-1-sulfonate;1,1,2-trifluoro-4-(tricyclo[5.2.1.02,6]decane-8-carbonyloxy)butane-1-sulfonate
PubChem CID162146654
Molecular FormulaC228H299F28NO44S17
Molecular Weight4834.95 g/mol
Exact Mass4830.60
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl-(2-methyl-1-oxo-1-propoxybutan-2-yl)-(4-methylphenyl)sulfanium;4-acetyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;3-(1-adamantyloxy)-1,1,2-trifluoropropane-1-sulfonate;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;4-cyclohexyloxy-1,1,2-trifluorobutane-1-sulfonate;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-1-benzothiophen-1-ium;3-(thiolan-1-ium-1-yl)-1-benzothiophene;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;1,1,2-trifluoro-4-propanoyloxybutane-1-sulfonate;1,1,2-trifluoro-4-(tricyclo[5.2.1.02,6]decane-8-carbonyloxy)butane-1-sulfonate
SMILESCC(=O)OCCC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CC(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CCC(=O)OCCC(F)C(F)(F)S(=O)(=O)[O-].CCCOC(=O)C(C)(CC)[S+](CC1CCC2CCCCC2C1)c1ccc(C)cc1.Cn1cc([S+]2CCCC2)c2ccccc21.O=C(OC(F)C(F)(F)S(=O)(=O)[O-])C1CC2CCC1C2.O=C(OCCC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCCC(F)C(F)(F)S(=O)(=O)[O-])C1CC2CC1C1CCCC21.O=C(OCCC(F)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.O=S(=O)([O-])C(F)(F)C(F)CCOC1CCCCC1.O=S(=O)([O-])C(F)(F)C(F)COC12CC3CC(CC(C3)C1)C2.Oc1ccc([S+]2CCCC2)c2ccccc12.c1ccc(-[s+]2ccc3ccccc32)cc1.c1ccc2c([S+]3CCCC3)ccc(OCC3CCCCC3)c2c1.c1ccc2c([S+]3CCCC3)csc2c1
InChIInChI=1S/C26H41O2S.C21H27OS.C20H29OS.C19H27OS.C16H21F5O5S.C15H21F3O5S.C14H14OS.C14H11S.C13H19F3O4S.C13H16NS.C12H13S2.C11H17F3O5S.C10H13F3O5S.C10H17F3O4S.C7H9F5O5S.C7H11F3O5S/c1-5-17-28-25(27)26(4,6-2)29(24-15-11-20(3)12-16-24)19-21-13-14-22-9-7-8-10-23(22)18-21;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;1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;1-15(21-13-5-6-14-21)19(20)18-11-9-17(10-12-18)16-7-3-2-4-8-16;17-15(18,19)12(16(20,21)27(23,24)25)1-2-26-13(22)14-6-9-3-10(7-14)5-11(4-9)8-14;16-13(15(17,18)24(20,21)22)4-5-23-14(19)12-7-8-6-11(12)10-3-1-2-9(8)10;15-13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13;1-2-7-13(8-3-1)15-11-10-12-6-4-5-9-14(12)15;14-11(13(15,16)21(17,18)19)7-20-12-4-8-1-9(5-12)3-10(2-8)6-12;1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;1-2-6-11-10(5-1)12(9-13-11)14-7-3-4-8-14;12-9(11(13,14)20(16,17)18)6-7-19-10(15)8-4-2-1-3-5-8;11-9(10(12,13)19(15,16)17)18-8(14)7-4-5-1-2-6(7)3-5;11-9(10(12,13)18(14,15)16)6-7-17-8-4-2-1-3-5-8;1-4(13)17-3-2-5(6(8,9)10)7(11,12)18(14,15)16;1-2-6(11)15-4-3-5(8)7(9,10)16(12,13)14/h11-12,15-16,21-23H,5-10,13-14,17-19H2,1-4H3;4-5,10-13,17H,1-3,6-9,14-16H2;10-13,16H,3-9,14-15H2,1-2H3;9-12,15-16H,2-8,13-14H2,1H3;9-12H,1-8H2,(H,23,24,25);8-13H,1-7H2,(H,20,21,22);1-2,5-8H,3-4,9-10H2;1-11H;8-11H,1-7H2,(H,17,18,19);2-3,6-7,10H,4-5,8-9H2,1H3;1-2,5-6,9H,3-4,7-8H2;8-9H,1-7H2,(H,16,17,18);5-7,9H,1-4H2,(H,15,16,17);8-9H,1-7H2,(H,14,15,16);5H,2-3H2,1H3,(H,14,15,16);5H,2-4H2,1H3,(H,12,13,14)/q4*+1;;;;+1;;2*+1;;;;;/p-7
InChIKeyZKQKWVCTIZHKQR-UHFFFAOYSA-G
XLogP52.62
TPSA728.69 Ų
H-Bond Donors1
H-Bond Acceptors46
Rotatable Bonds68
Heavy Atoms318
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004834.95
LogP ≤ 552.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1046

Analyze 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl-(2-methyl-1-oxo-1-propoxybutan-2-yl)-(4-methylphenyl)sulfanium;4-acetyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;3-(1-adamantyloxy)-1,1,2-trifluoropropane-1-sulfonate;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;4-cyclohexyloxy-1,1,2-trifluorobutane-1-sulfonate;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-1-benzothiophen-1-ium;3-(thiolan-1-ium-1-yl)-1-benzothiophene;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;1,1,2-trifluoro-4-propanoyloxybutane-1-sulfonate;1,1,2-trifluoro-4-(tricyclo[5.2.1.02,6]decane-8-carbonyloxy)butane-1-sulfonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl-(2-methyl-1-oxo-1-propoxybutan-2-yl)-(4-methylphenyl)sulfanium;4-acetyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;3-(1-adamantyloxy)-1,1,2-trifluoropropane-1-sulfonate;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;4-cyclohexyloxy-1,1,2-trifluorobutane-1-sulfonate;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-1-benzothiophen-1-ium;3-(thiolan-1-ium-1-yl)-1-benzothiophene;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;1,1,2-trifluoro-4-propanoyloxybutane-1-sulfonate;1,1,2-trifluoro-4-(tricyclo[5.2.1.02,6]decane-8-carbonyloxy)butane-1-sulfonate?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl-(2-methyl-1-oxo-1-propoxybutan-2-yl)-(4-methylphenyl)sulfanium;4-acetyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;3-(1-adamantyloxy)-1,1,2-trifluoropropane-1-sulfonate;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;4-cyclohexyloxy-1,1,2-trifluorobutane-1-sulfonate;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-1-benzothiophen-1-ium;3-(thiolan-1-ium-1-yl)-1-benzothiophene;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;1,1,2-trifluoro-4-propanoyloxybutane-1-sulfonate;1,1,2-trifluoro-4-(tricyclo[5.2.1.02,6]decane-8-carbonyloxy)butane-1-sulfonate (CID 162146654) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl-(2-methyl-1-oxo-1-propoxybutan-2-yl)-(4-methylphenyl)sulfanium;4-acetyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;3-(1-adamantyloxy)-1,1,2-trifluoropropane-1-sulfonate;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;4-cyclohexyloxy-1,1,2-trifluorobutane-1-sulfonate;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-1-benzothiophen-1-ium;3-(thiolan-1-ium-1-yl)-1-benzothiophene;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;1,1,2-trifluoro-4-propanoyloxybutane-1-sulfonate;1,1,2-trifluoro-4-(tricyclo[5.2.1.02,6]decane-8-carbonyloxy)butane-1-sulfonate.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl-(2-methyl-1-oxo-1-propoxybutan-2-yl)-(4-methylphenyl)sulfanium;4-acetyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;3-(1-adamantyloxy)-1,1,2-trifluoropropane-1-sulfonate;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;4-cyclohexyloxy-1,1,2-trifluorobutane-1-sulfonate;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-1-benzothiophen-1-ium;3-(thiolan-1-ium-1-yl)-1-benzothiophene;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;1,1,2-trifluoro-4-propanoyloxybutane-1-sulfonate;1,1,2-trifluoro-4-(tricyclo[5.2.1.02,6]decane-8-carbonyloxy)butane-1-sulfonate?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl-(2-methyl-1-oxo-1-propoxybutan-2-yl)-(4-methylphenyl)sulfanium;4-acetyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;3-(1-adamantyloxy)-1,1,2-trifluoropropane-1-sulfonate;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;4-cyclohexyloxy-1,1,2-trifluorobutane-1-sulfonate;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-1-benzothiophen-1-ium;3-(thiolan-1-ium-1-yl)-1-benzothiophene;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;1,1,2-trifluoro-4-propanoyloxybutane-1-sulfonate;1,1,2-trifluoro-4-(tricyclo[5.2.1.02,6]decane-8-carbonyloxy)butane-1-sulfonate is CC(=O)OCCC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CC(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CCC(=O)OCCC(F)C(F)(F)S(=O)(=O)[O-].CCCOC(=O)C(C)(CC)[S+](CC1CCC2CCCCC2C1)c1ccc(C)cc1.Cn1cc([S+]2CCCC2)c2ccccc21.O=C(OC(F)C(F)(F)S(=O)(=O)[O-])C1CC2CCC1C2.O=C(OCCC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCCC(F)C(F)(F)S(=O)(=O)[O-])C1CC2CC1C1CCCC21.O=C(OCCC(F)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.O=S(=O)([O-])C(F)(F)C(F)CCOC1CCCCC1.O=S(=O)([O-])C(F)(F)C(F)COC12CC3CC(CC(C3)C1)C2.Oc1ccc([S+]2CCCC2)c2ccccc12.c1ccc(-[s+]2ccc3ccccc32)cc1.c1ccc2c([S+]3CCCC3)ccc(OCC3CCCCC3)c2c1.c1ccc2c([S+]3CCCC3)csc2c1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl-(2-methyl-1-oxo-1-propoxybutan-2-yl)-(4-methylphenyl)sulfanium;4-acetyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;3-(1-adamantyloxy)-1,1,2-trifluoropropane-1-sulfonate;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;4-cyclohexyloxy-1,1,2-trifluorobutane-1-sulfonate;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-1-benzothiophen-1-ium;3-(thiolan-1-ium-1-yl)-1-benzothiophene;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;1,1,2-trifluoro-4-propanoyloxybutane-1-sulfonate;1,1,2-trifluoro-4-(tricyclo[5.2.1.02,6]decane-8-carbonyloxy)butane-1-sulfonate?
The InChIKey is ZKQKWVCTIZHKQR-UHFFFAOYSA-G. The full InChI is InChI=1S/C26H41O2S.C21H27OS.C20H29OS.C19H27OS.C16H21F5O5S.C15H21F3O5S.C14H14OS.C14H11S.C13H19F3O4S.C13H16NS.C12H13S2.C11H17F3O5S.C10H13F3O5S.C10H17F3O4S.C7H9F5O5S.C7H11F3O5S/c1-5-17-28-25(27)26(4,6-2)29(24-15-11-20(3)12-16-24)19-21-13-14-22-9-7-8-10-23(22)18-21;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;1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;1-15(21-13-5-6-14-21)19(20)18-11-9-17(10-12-18)16-7-3-2-4-8-16;17-15(18,19)12(16(20,21)27(23,24)25)1-2-26-13(22)14-6-9-3-10(7-14)5-11(4-9)8-14;16-13(15(17,18)24(20,21)22)4-5-23-14(19)12-7-8-6-11(12)10-3-1-2-9(8)10;15-13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13;1-2-7-13(8-3-1)15-11-10-12-6-4-5-9-14(12)15;14-11(13(15,16)21(17,18)19)7-20-12-4-8-1-9(5-12)3-10(2-8)6-12;1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;1-2-6-11-10(5-1)12(9-13-11)14-7-3-4-8-14;12-9(11(13,14)20(16,17)18)6-7-19-10(15)8-4-2-1-3-5-8;11-9(10(12,13)19(15,16)17)18-8(14)7-4-5-1-2-6(7)3-5;11-9(10(12,13)18(14,15)16)6-7-17-8-4-2-1-3-5-8;1-4(13)17-3-2-5(6(8,9)10)7(11,12)18(14,15)16;1-2-6(11)15-4-3-5(8)7(9,10)16(12,13)14/h11-12,15-16,21-23H,5-10,13-14,17-19H2,1-4H3;4-5,10-13,17H,1-3,6-9,14-16H2;10-13,16H,3-9,14-15H2,1-2H3;9-12,15-16H,2-8,13-14H2,1H3;9-12H,1-8H2,(H,23,24,25);8-13H,1-7H2,(H,20,21,22);1-2,5-8H,3-4,9-10H2;1-11H;8-11H,1-7H2,(H,17,18,19);2-3,6-7,10H,4-5,8-9H2,1H3;1-2,5-6,9H,3-4,7-8H2;8-9H,1-7H2,(H,16,17,18);5-7,9H,1-4H2,(H,15,16,17);8-9H,1-7H2,(H,14,15,16);5H,2-3H2,1H3,(H,14,15,16);5H,2-4H2,1H3,(H,12,13,14)/q4*+1;;;;+1;;2*+1;;;;;/p-7.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl-(2-methyl-1-oxo-1-propoxybutan-2-yl)-(4-methylphenyl)sulfanium;4-acetyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;3-(1-adamantyloxy)-1,1,2-trifluoropropane-1-sulfonate;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;4-cyclohexyloxy-1,1,2-trifluorobutane-1-sulfonate;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-1-benzothiophen-1-ium;3-(thiolan-1-ium-1-yl)-1-benzothiophene;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;1,1,2-trifluoro-4-propanoyloxybutane-1-sulfonate;1,1,2-trifluoro-4-(tricyclo[5.2.1.02,6]decane-8-carbonyloxy)butane-1-sulfonate?
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl-(2-methyl-1-oxo-1-propoxybutan-2-yl)-(4-methylphenyl)sulfanium;4-acetyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;3-(1-adamantyloxy)-1,1,2-trifluoropropane-1-sulfonate;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;4-cyclohexyloxy-1,1,2-trifluorobutane-1-sulfonate;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-1-benzothiophen-1-ium;3-(thiolan-1-ium-1-yl)-1-benzothiophene;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;1,1,2-trifluoro-4-propanoyloxybutane-1-sulfonate;1,1,2-trifluoro-4-(tricyclo[5.2.1.02,6]decane-8-carbonyloxy)butane-1-sulfonate has a molecular weight of 4834.95 g/mol, XLogP of 52.62, 68 rotatable bonds, 1 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl-(2-methyl-1-oxo-1-propoxybutan-2-yl)-(4-methylphenyl)sulfanium;4-acetyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;3-(1-adamantyloxy)-1,1,2-trifluoropropane-1-sulfonate;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;4-cyclohexyloxy-1,1,2-trifluorobutane-1-sulfonate;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-1-benzothiophen-1-ium;3-(thiolan-1-ium-1-yl)-1-benzothiophene;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;1,1,2-trifluoro-4-propanoyloxybutane-1-sulfonate;1,1,2-trifluoro-4-(tricyclo[5.2.1.02,6]decane-8-carbonyloxy)butane-1-sulfonate is sourced from PubChem (CID 162146654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).