2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium;1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1,1,1,3,3-pentafluorobutan-2-yl 2-(2-adamantyl)acetate;2,4,6-tricyclohexylbenzenesulfonate;3,3,3-trifluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;pentakis(triphenylsulfanium)

C262H293F27N2O32S16+2 — CID 160739434

IUPAC2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium;1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1,1,1,3,3-pentafluorobutan-2-yl 2-(2-adamantyl)acetate;2,4,6-tricyclohexylbenzenesulfonate;3,3,3-trifluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;pentakis(triphenylsulfanium)
SMILESCC(C)CCCC(C)C1CCC2C3CCC4CC(OC(=O)C(C)(F)F)CCC4(C)C3CCC12C.CC(F)(F)C(OC(=O)CC1C2CC3CC(C2)CC1C3)C(F)(F)F.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OCC(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C1C2CC3CC1CC(C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)(C3)C2.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1.O=S(=O)([O-])c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S1(=O)CCCS(=O)(=O)[N-]1.OCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.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.c1ccc2c([S+]3CCCC3)ccc(OCC3CCCCC3)c2c1
InChIInChI=1S/C30H50F2O2.C24H36O3S.C21H27OS.C20H19OS.C19H17S.5C18H15S.C16H21F5O2.C14H17F3O6S.C13H18F2O5S.C8H11F6NO5S2.C4HF9O3S.C3H6NO4S2/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(34-27(33)30(6,31)32)14-16-28(21,4)26(23)15-17-29(24,25)5;25-28(26,27)24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;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;21-16-15-17-11-13-20(14-12-17)22(18-7-3-1-4-8-18)19-9-5-2-6-10-19;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;1-15(17,18)14(16(19,20)21)23-13(22)7-12-10-3-8-2-9(5-10)6-11(12)4-8;15-14(16,17)10(6-24(20,21)22)23-12(19)13-3-7-1-8(4-13)11(18)9(2-7)5-13;14-13(15,21(17,18)19)7-20-11(16)12-4-8-1-9(5-12)3-10(2-8)6-12;9-6(10,8(13,14)22(18,19)20)7(11,12)21(16,17)15-4-2-1-3-5-15;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;5-9(6)2-1-3-10(7,8)4-9/h19-26H,7-18H2,1-6H3;16-20H,1-15H2,(H,25,26,27);4-5,10-13,17H,1-3,6-9,14-16H2;1-14,21H,15-16H2;2-15H,1H3;5*1-15H;8-12,14H,2-7H2,1H3;7-10H,1-6H2,(H,20,21,22);8-10H,1-7H2,(H,17,18,19);1-5H2,(H,18,19,20);(H,14,15,16);1-3H2/q;;8*+1;;;;;;-1/p-5
InChIKeyRVJMSNWRVYEYDY-UHFFFAOYSA-I
MW5008.23 g/mol
LogP64.71
Rot. Bonds58

About 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium;1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1,1,1,3,3-pentafluorobutan-2-yl 2-(2-adamantyl)acetate;2,4,6-tricyclohexylbenzenesulfonate;3,3,3-trifluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;pentakis(triphenylsulfanium)

2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium;1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1,1,1,3,3-pentafluorobutan-2-yl 2-(2-adamantyl)acetate;2,4,6-tricyclohexylbenzenesulfonate;3,3,3-trifluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;pentakis(triphenylsulfanium) (PubChem CID 160739434) has the molecular formula C262H293F27N2O32S16+2 and a molecular weight of 5008.23 g/mol. Its IUPAC name is 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium;1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1,1,1,3,3-pentafluorobutan-2-yl 2-(2-adamantyl)acetate;2,4,6-tricyclohexylbenzenesulfonate;3,3,3-trifluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;pentakis(triphenylsulfanium).

Molecular Properties

Compound Name2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium;1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1,1,1,3,3-pentafluorobutan-2-yl 2-(2-adamantyl)acetate;2,4,6-tricyclohexylbenzenesulfonate;3,3,3-trifluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;pentakis(triphenylsulfanium)
PubChem CID160739434
Molecular FormulaC262H293F27N2O32S16+2
Molecular Weight5008.23 g/mol
Exact Mass5003.65
IUPAC Name2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium;1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1,1,1,3,3-pentafluorobutan-2-yl 2-(2-adamantyl)acetate;2,4,6-tricyclohexylbenzenesulfonate;3,3,3-trifluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;pentakis(triphenylsulfanium)
SMILESCC(C)CCCC(C)C1CCC2C3CCC4CC(OC(=O)C(C)(F)F)CCC4(C)C3CCC12C.CC(F)(F)C(OC(=O)CC1C2CC3CC(C2)CC1C3)C(F)(F)F.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OCC(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C1C2CC3CC1CC(C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)(C3)C2.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1.O=S(=O)([O-])c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S1(=O)CCCS(=O)(=O)[N-]1.OCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.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.c1ccc2c([S+]3CCCC3)ccc(OCC3CCCCC3)c2c1
InChIInChI=1S/C30H50F2O2.C24H36O3S.C21H27OS.C20H19OS.C19H17S.5C18H15S.C16H21F5O2.C14H17F3O6S.C13H18F2O5S.C8H11F6NO5S2.C4HF9O3S.C3H6NO4S2/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(34-27(33)30(6,31)32)14-16-28(21,4)26(23)15-17-29(24,25)5;25-28(26,27)24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;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;21-16-15-17-11-13-20(14-12-17)22(18-7-3-1-4-8-18)19-9-5-2-6-10-19;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;1-15(17,18)14(16(19,20)21)23-13(22)7-12-10-3-8-2-9(5-10)6-11(12)4-8;15-14(16,17)10(6-24(20,21)22)23-12(19)13-3-7-1-8(4-13)11(18)9(2-7)5-13;14-13(15,21(17,18)19)7-20-11(16)12-4-8-1-9(5-12)3-10(2-8)6-12;9-6(10,8(13,14)22(18,19)20)7(11,12)21(16,17)15-4-2-1-3-5-15;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;5-9(6)2-1-3-10(7,8)4-9/h19-26H,7-18H2,1-6H3;16-20H,1-15H2,(H,25,26,27);4-5,10-13,17H,1-3,6-9,14-16H2;1-14,21H,15-16H2;2-15H,1H3;5*1-15H;8-12,14H,2-7H2,1H3;7-10H,1-6H2,(H,20,21,22);8-10H,1-7H2,(H,17,18,19);1-5H2,(H,18,19,20);(H,14,15,16);1-3H2/q;;8*+1;;;;;;-1/p-5
InChIKeyRVJMSNWRVYEYDY-UHFFFAOYSA-I
XLogP64.71
TPSA557.49 Ų
H-Bond Donors1
H-Bond Acceptors32
Rotatable Bonds58
Heavy Atoms339
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005008.23
LogP ≤ 564.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1032

Analyze 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium;1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1,1,1,3,3-pentafluorobutan-2-yl 2-(2-adamantyl)acetate;2,4,6-tricyclohexylbenzenesulfonate;3,3,3-trifluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;pentakis(triphenylsulfanium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium;1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1,1,1,3,3-pentafluorobutan-2-yl 2-(2-adamantyl)acetate;2,4,6-tricyclohexylbenzenesulfonate;3,3,3-trifluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;pentakis(triphenylsulfanium)?
The IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium;1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1,1,1,3,3-pentafluorobutan-2-yl 2-(2-adamantyl)acetate;2,4,6-tricyclohexylbenzenesulfonate;3,3,3-trifluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;pentakis(triphenylsulfanium) (CID 160739434) is 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium;1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1,1,1,3,3-pentafluorobutan-2-yl 2-(2-adamantyl)acetate;2,4,6-tricyclohexylbenzenesulfonate;3,3,3-trifluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;pentakis(triphenylsulfanium).
What is the SMILES notation for 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium;1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1,1,1,3,3-pentafluorobutan-2-yl 2-(2-adamantyl)acetate;2,4,6-tricyclohexylbenzenesulfonate;3,3,3-trifluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;pentakis(triphenylsulfanium)?
The canonical SMILES for 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium;1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1,1,1,3,3-pentafluorobutan-2-yl 2-(2-adamantyl)acetate;2,4,6-tricyclohexylbenzenesulfonate;3,3,3-trifluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;pentakis(triphenylsulfanium) is CC(C)CCCC(C)C1CCC2C3CCC4CC(OC(=O)C(C)(F)F)CCC4(C)C3CCC12C.CC(F)(F)C(OC(=O)CC1C2CC3CC(C2)CC1C3)C(F)(F)F.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OCC(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C1C2CC3CC1CC(C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)(C3)C2.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1.O=S(=O)([O-])c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S1(=O)CCCS(=O)(=O)[N-]1.OCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.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.c1ccc2c([S+]3CCCC3)ccc(OCC3CCCCC3)c2c1.
What is the InChIKey of 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium;1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1,1,1,3,3-pentafluorobutan-2-yl 2-(2-adamantyl)acetate;2,4,6-tricyclohexylbenzenesulfonate;3,3,3-trifluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;pentakis(triphenylsulfanium)?
The InChIKey is RVJMSNWRVYEYDY-UHFFFAOYSA-I. The full InChI is InChI=1S/C30H50F2O2.C24H36O3S.C21H27OS.C20H19OS.C19H17S.5C18H15S.C16H21F5O2.C14H17F3O6S.C13H18F2O5S.C8H11F6NO5S2.C4HF9O3S.C3H6NO4S2/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(34-27(33)30(6,31)32)14-16-28(21,4)26(23)15-17-29(24,25)5;25-28(26,27)24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;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;21-16-15-17-11-13-20(14-12-17)22(18-7-3-1-4-8-18)19-9-5-2-6-10-19;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;1-15(17,18)14(16(19,20)21)23-13(22)7-12-10-3-8-2-9(5-10)6-11(12)4-8;15-14(16,17)10(6-24(20,21)22)23-12(19)13-3-7-1-8(4-13)11(18)9(2-7)5-13;14-13(15,21(17,18)19)7-20-11(16)12-4-8-1-9(5-12)3-10(2-8)6-12;9-6(10,8(13,14)22(18,19)20)7(11,12)21(16,17)15-4-2-1-3-5-15;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;5-9(6)2-1-3-10(7,8)4-9/h19-26H,7-18H2,1-6H3;16-20H,1-15H2,(H,25,26,27);4-5,10-13,17H,1-3,6-9,14-16H2;1-14,21H,15-16H2;2-15H,1H3;5*1-15H;8-12,14H,2-7H2,1H3;7-10H,1-6H2,(H,20,21,22);8-10H,1-7H2,(H,17,18,19);1-5H2,(H,18,19,20);(H,14,15,16);1-3H2/q;;8*+1;;;;;;-1/p-5.
What are the key properties of 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium;1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1,1,1,3,3-pentafluorobutan-2-yl 2-(2-adamantyl)acetate;2,4,6-tricyclohexylbenzenesulfonate;3,3,3-trifluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;pentakis(triphenylsulfanium)?
2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium;1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1,1,1,3,3-pentafluorobutan-2-yl 2-(2-adamantyl)acetate;2,4,6-tricyclohexylbenzenesulfonate;3,3,3-trifluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;pentakis(triphenylsulfanium) has a molecular weight of 5008.23 g/mol, XLogP of 64.71, 58 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium;1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1,1,1,3,3-pentafluorobutan-2-yl 2-(2-adamantyl)acetate;2,4,6-tricyclohexylbenzenesulfonate;3,3,3-trifluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;pentakis(triphenylsulfanium) is sourced from PubChem (CID 160739434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).