2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;2-[4-(7,12-diacetyloxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);2-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;pentakis(triphenylsulfanium)

C262H283F29O50S14 — CID 157072954

IUPAC2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;2-[4-(7,12-diacetyloxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);2-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;pentakis(triphenylsulfanium)
SMILESCC(=O)OC1CC2CC(C)CCC2(C)C2CC(OC(C)=O)C3(C)C(C(C)CCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])CCC3C12.CC(C)(C)C(=O)OC12CC3CC(C1)CC(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])(C3)C2.CC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(CCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CC(=O)C12C.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].O=C1OC2C3CC(C2OC(=O)C24CC5CC(CC(C5)C2)C4)C(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C13.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H47F5O9S.C27H35F5O8S.C23H25F5O9S.C22H23S.C19H25F5O7S.C19H17S.5C18H15S.C16H19F5O7S.2C7H12F2O5S/c1-16-11-12-29(5)20(13-16)14-24(44-18(3)38)27-22-9-8-21(30(22,6)25(15-23(27)29)45-19(4)39)17(2)7-10-26(40)46-28(31(33,34)35)32(36,37)47(41,42)43;1-13(4-7-21(36)40-23(26(28,29)30)27(31,32)41(37,38)39)16-5-6-17-22-18(12-20(35)25(16,17)3)24(2)9-8-15(33)10-14(24)11-19(22)34;24-22(25,26)19(23(27,28)38(32,33)34)37-18(30)14-12-4-11-13(14)17(29)35-15(11)16(12)36-20(31)21-5-8-1-9(6-21)3-10(2-8)7-21;1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-15(2,3)13(25)31-17-7-10-4-11(8-17)6-16(5-10,9-17)14(26)30-12(18(20,21)22)19(23,24)32(27,28)29;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;5*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;17-15(18,19)12(16(20,21)29(24,25)26)28-11(22)7-27-13(23)14-4-8-1-9(5-14)3-10(2-8)6-14;2*1-6(2,3)5(10)14-4-7(8,9)15(11,12)13/h16-17,20-25,27-28H,7-15H2,1-6H3,(H,41,42,43);13-14,16-18,22-23H,4-12H2,1-3H3,(H,37,38,39);8-16,19H,1-7H2,(H,32,33,34);4-17H,1-3H3;10-12H,4-9H2,1-3H3,(H,27,28,29);2-15H,1H3;5*1-15H;8-10,12H,1-7H2,(H,24,25,26);2*4H2,1-3H3,(H,11,12,13)/q;;;+1;;6*+1;;;/p-7
InChIKeyACQKOTQKOOYXNJ-UHFFFAOYSA-G
MW5231.98 g/mol
LogP55.92
Rot. Bonds60

About 2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;2-[4-(7,12-diacetyloxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);2-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;pentakis(triphenylsulfanium)

2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;2-[4-(7,12-diacetyloxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);2-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;pentakis(triphenylsulfanium) (PubChem CID 157072954) has the molecular formula C262H283F29O50S14 and a molecular weight of 5231.98 g/mol. Its IUPAC name is 2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;2-[4-(7,12-diacetyloxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);2-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;pentakis(triphenylsulfanium).

Molecular Properties

Compound Name2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;2-[4-(7,12-diacetyloxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);2-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;pentakis(triphenylsulfanium)
PubChem CID157072954
Molecular FormulaC262H283F29O50S14
Molecular Weight5231.98 g/mol
Exact Mass5227.52
IUPAC Name2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;2-[4-(7,12-diacetyloxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);2-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;pentakis(triphenylsulfanium)
SMILESCC(=O)OC1CC2CC(C)CCC2(C)C2CC(OC(C)=O)C3(C)C(C(C)CCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])CCC3C12.CC(C)(C)C(=O)OC12CC3CC(C1)CC(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])(C3)C2.CC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(CCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CC(=O)C12C.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].O=C1OC2C3CC(C2OC(=O)C24CC5CC(CC(C5)C2)C4)C(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C13.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H47F5O9S.C27H35F5O8S.C23H25F5O9S.C22H23S.C19H25F5O7S.C19H17S.5C18H15S.C16H19F5O7S.2C7H12F2O5S/c1-16-11-12-29(5)20(13-16)14-24(44-18(3)38)27-22-9-8-21(30(22,6)25(15-23(27)29)45-19(4)39)17(2)7-10-26(40)46-28(31(33,34)35)32(36,37)47(41,42)43;1-13(4-7-21(36)40-23(26(28,29)30)27(31,32)41(37,38)39)16-5-6-17-22-18(12-20(35)25(16,17)3)24(2)9-8-15(33)10-14(24)11-19(22)34;24-22(25,26)19(23(27,28)38(32,33)34)37-18(30)14-12-4-11-13(14)17(29)35-15(11)16(12)36-20(31)21-5-8-1-9(6-21)3-10(2-8)7-21;1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-15(2,3)13(25)31-17-7-10-4-11(8-17)6-16(5-10,9-17)14(26)30-12(18(20,21)22)19(23,24)32(27,28)29;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;5*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;17-15(18,19)12(16(20,21)29(24,25)26)28-11(22)7-27-13(23)14-4-8-1-9(5-14)3-10(2-8)6-14;2*1-6(2,3)5(10)14-4-7(8,9)15(11,12)13/h16-17,20-25,27-28H,7-15H2,1-6H3,(H,41,42,43);13-14,16-18,22-23H,4-12H2,1-3H3,(H,37,38,39);8-16,19H,1-7H2,(H,32,33,34);4-17H,1-3H3;10-12H,4-9H2,1-3H3,(H,27,28,29);2-15H,1H3;5*1-15H;8-10,12H,1-7H2,(H,24,25,26);2*4H2,1-3H3,(H,11,12,13)/q;;;+1;;6*+1;;;/p-7
InChIKeyACQKOTQKOOYXNJ-UHFFFAOYSA-G
XLogP55.92
TPSA793.51 Ų
H-Bond Donors
H-Bond Acceptors50
Rotatable Bonds60
Heavy Atoms355
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005231.98
LogP ≤ 555.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1050

Analyze 2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;2-[4-(7,12-diacetyloxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);2-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;pentakis(triphenylsulfanium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;2-[4-(7,12-diacetyloxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);2-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;pentakis(triphenylsulfanium)?
The IUPAC name of 2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;2-[4-(7,12-diacetyloxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);2-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;pentakis(triphenylsulfanium) (CID 157072954) is 2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;2-[4-(7,12-diacetyloxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);2-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;pentakis(triphenylsulfanium).
What is the SMILES notation for 2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;2-[4-(7,12-diacetyloxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);2-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;pentakis(triphenylsulfanium)?
The canonical SMILES for 2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;2-[4-(7,12-diacetyloxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);2-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;pentakis(triphenylsulfanium) is CC(=O)OC1CC2CC(C)CCC2(C)C2CC(OC(C)=O)C3(C)C(C(C)CCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])CCC3C12.CC(C)(C)C(=O)OC12CC3CC(C1)CC(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])(C3)C2.CC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(CCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CC(=O)C12C.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].O=C1OC2C3CC(C2OC(=O)C24CC5CC(CC(C5)C2)C4)C(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C13.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;2-[4-(7,12-diacetyloxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);2-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;pentakis(triphenylsulfanium)?
The InChIKey is ACQKOTQKOOYXNJ-UHFFFAOYSA-G. The full InChI is InChI=1S/C32H47F5O9S.C27H35F5O8S.C23H25F5O9S.C22H23S.C19H25F5O7S.C19H17S.5C18H15S.C16H19F5O7S.2C7H12F2O5S/c1-16-11-12-29(5)20(13-16)14-24(44-18(3)38)27-22-9-8-21(30(22,6)25(15-23(27)29)45-19(4)39)17(2)7-10-26(40)46-28(31(33,34)35)32(36,37)47(41,42)43;1-13(4-7-21(36)40-23(26(28,29)30)27(31,32)41(37,38)39)16-5-6-17-22-18(12-20(35)25(16,17)3)24(2)9-8-15(33)10-14(24)11-19(22)34;24-22(25,26)19(23(27,28)38(32,33)34)37-18(30)14-12-4-11-13(14)17(29)35-15(11)16(12)36-20(31)21-5-8-1-9(6-21)3-10(2-8)7-21;1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-15(2,3)13(25)31-17-7-10-4-11(8-17)6-16(5-10,9-17)14(26)30-12(18(20,21)22)19(23,24)32(27,28)29;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;5*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;17-15(18,19)12(16(20,21)29(24,25)26)28-11(22)7-27-13(23)14-4-8-1-9(5-14)3-10(2-8)6-14;2*1-6(2,3)5(10)14-4-7(8,9)15(11,12)13/h16-17,20-25,27-28H,7-15H2,1-6H3,(H,41,42,43);13-14,16-18,22-23H,4-12H2,1-3H3,(H,37,38,39);8-16,19H,1-7H2,(H,32,33,34);4-17H,1-3H3;10-12H,4-9H2,1-3H3,(H,27,28,29);2-15H,1H3;5*1-15H;8-10,12H,1-7H2,(H,24,25,26);2*4H2,1-3H3,(H,11,12,13)/q;;;+1;;6*+1;;;/p-7.
What are the key properties of 2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;2-[4-(7,12-diacetyloxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);2-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;pentakis(triphenylsulfanium)?
2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;2-[4-(7,12-diacetyloxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);2-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;pentakis(triphenylsulfanium) has a molecular weight of 5231.98 g/mol, XLogP of 55.92, 60 rotatable bonds, 0 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;2-[4-(7,12-diacetyloxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);2-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;pentakis(triphenylsulfanium) is sourced from PubChem (CID 157072954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).