2-[9-(adamantane-1-carbonyloxy)tricyclo[4.2.1.03,7]nonane-2-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;tetrakis(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-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;tris(triphenylsulfanium)

C246H269F23O45S14 — CID 159173326

IUPAC2-[9-(adamantane-1-carbonyloxy)tricyclo[4.2.1.03,7]nonane-2-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;tetrakis(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-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;tris(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)OCC(F)(F)S(=O)(=O)[O-].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)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(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C1C2CCC3C2CC1C3OC(=O)C12CC3CC(CC(C3)C1)C2.Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2cccc3ccccc23)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H47F5O9S.C27H35F5O8S.C24H29F5O7S.C22H17S.C22H23S.C19H17S.C18H14OS.3C18H15S.4C7H12F2O5S/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;25-23(26,27)20(24(28,29)37(32,33)34)36-19(30)17-13-1-2-14-15(13)6-16(17)18(14)35-21(31)22-7-10-3-11(8-22)5-12(4-10)9-22;1-3-12-19(13-4-1)23(20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22;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;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*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);10-18,20H,1-9H2,(H,32,33,34);1-17H;4-17H,1-3H3;2-15H,1H3;1-14H;3*1-15H;4*4H2,1-3H3,(H,11,12,13)/q;;;3*+1;;3*+1;;;;/p-6
InChIKeyKLYTWXYCMRSCHC-UHFFFAOYSA-H
MW4831.70 g/mol
LogP53.81
Rot. Bonds55

About 2-[9-(adamantane-1-carbonyloxy)tricyclo[4.2.1.03,7]nonane-2-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;tetrakis(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-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;tris(triphenylsulfanium)

2-[9-(adamantane-1-carbonyloxy)tricyclo[4.2.1.03,7]nonane-2-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;tetrakis(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-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;tris(triphenylsulfanium) (PubChem CID 159173326) has the molecular formula C246H269F23O45S14 and a molecular weight of 4831.70 g/mol. Its IUPAC name is 2-[9-(adamantane-1-carbonyloxy)tricyclo[4.2.1.03,7]nonane-2-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;tetrakis(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-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;tris(triphenylsulfanium).

Molecular Properties

Compound Name2-[9-(adamantane-1-carbonyloxy)tricyclo[4.2.1.03,7]nonane-2-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;tetrakis(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-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;tris(triphenylsulfanium)
PubChem CID159173326
Molecular FormulaC246H269F23O45S14
Molecular Weight4831.70 g/mol
Exact Mass4827.45
IUPAC Name2-[9-(adamantane-1-carbonyloxy)tricyclo[4.2.1.03,7]nonane-2-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;tetrakis(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-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;tris(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)OCC(F)(F)S(=O)(=O)[O-].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)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(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C1C2CCC3C2CC1C3OC(=O)C12CC3CC(CC(C3)C1)C2.Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2cccc3ccccc23)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H47F5O9S.C27H35F5O8S.C24H29F5O7S.C22H17S.C22H23S.C19H17S.C18H14OS.3C18H15S.4C7H12F2O5S/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;25-23(26,27)20(24(28,29)37(32,33)34)36-19(30)17-13-1-2-14-15(13)6-16(17)18(14)35-21(31)22-7-10-3-11(8-22)5-12(4-10)9-22;1-3-12-19(13-4-1)23(20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22;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;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*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);10-18,20H,1-9H2,(H,32,33,34);1-17H;4-17H,1-3H3;2-15H,1H3;1-14H;3*1-15H;4*4H2,1-3H3,(H,11,12,13)/q;;;3*+1;;3*+1;;;;/p-6
InChIKeyKLYTWXYCMRSCHC-UHFFFAOYSA-H
XLogP53.81
TPSA734.84 Ų
H-Bond Donors1
H-Bond Acceptors45
Rotatable Bonds55
Heavy Atoms328
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004831.70
LogP ≤ 553.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1045

Analyze 2-[9-(adamantane-1-carbonyloxy)tricyclo[4.2.1.03,7]nonane-2-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;tetrakis(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-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;tris(triphenylsulfanium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[9-(adamantane-1-carbonyloxy)tricyclo[4.2.1.03,7]nonane-2-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;tetrakis(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-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;tris(triphenylsulfanium)?
The IUPAC name of 2-[9-(adamantane-1-carbonyloxy)tricyclo[4.2.1.03,7]nonane-2-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;tetrakis(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-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;tris(triphenylsulfanium) (CID 159173326) is 2-[9-(adamantane-1-carbonyloxy)tricyclo[4.2.1.03,7]nonane-2-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;tetrakis(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-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;tris(triphenylsulfanium).
What is the SMILES notation for 2-[9-(adamantane-1-carbonyloxy)tricyclo[4.2.1.03,7]nonane-2-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;tetrakis(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-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;tris(triphenylsulfanium)?
The canonical SMILES for 2-[9-(adamantane-1-carbonyloxy)tricyclo[4.2.1.03,7]nonane-2-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;tetrakis(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-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;tris(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)OCC(F)(F)S(=O)(=O)[O-].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)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(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C1C2CCC3C2CC1C3OC(=O)C12CC3CC(CC(C3)C1)C2.Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2cccc3ccccc23)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[9-(adamantane-1-carbonyloxy)tricyclo[4.2.1.03,7]nonane-2-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;tetrakis(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-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;tris(triphenylsulfanium)?
The InChIKey is KLYTWXYCMRSCHC-UHFFFAOYSA-H. The full InChI is InChI=1S/C32H47F5O9S.C27H35F5O8S.C24H29F5O7S.C22H17S.C22H23S.C19H17S.C18H14OS.3C18H15S.4C7H12F2O5S/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;25-23(26,27)20(24(28,29)37(32,33)34)36-19(30)17-13-1-2-14-15(13)6-16(17)18(14)35-21(31)22-7-10-3-11(8-22)5-12(4-10)9-22;1-3-12-19(13-4-1)23(20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22;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;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*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);10-18,20H,1-9H2,(H,32,33,34);1-17H;4-17H,1-3H3;2-15H,1H3;1-14H;3*1-15H;4*4H2,1-3H3,(H,11,12,13)/q;;;3*+1;;3*+1;;;;/p-6.
What are the key properties of 2-[9-(adamantane-1-carbonyloxy)tricyclo[4.2.1.03,7]nonane-2-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;tetrakis(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-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;tris(triphenylsulfanium)?
2-[9-(adamantane-1-carbonyloxy)tricyclo[4.2.1.03,7]nonane-2-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;tetrakis(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-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;tris(triphenylsulfanium) has a molecular weight of 4831.70 g/mol, XLogP of 53.81, 55 rotatable bonds, 1 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(adamantane-1-carbonyloxy)tricyclo[4.2.1.03,7]nonane-2-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;tetrakis(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-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;tris(triphenylsulfanium) is sourced from PubChem (CID 159173326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).