2-[2-[2,6-dimethyl-4-[[4-(2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;2-[2-[2,6-dimethyl-4-[[4-(2-methyl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;2-[2-[2,6-dimethyl-4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;bis(2-[2-[2,6-dimethyl-4-[phenyl-[4-(2,4,4-trimethyl-1,3-dioxolan-2-yl)phenyl]sulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate);2-[2-[4-[[4-[2,4-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-2-yl]phenyl]-phenylsulfonio]-2,6-dimethylphenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate

C184H195F15O48S12 — CID 158005881

IUPAC2-[2-[2,6-dimethyl-4-[[4-(2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;2-[2-[2,6-dimethyl-4-[[4-(2-methyl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;2-[2-[2,6-dimethyl-4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;bis(2-[2-[2,6-dimethyl-4-[phenyl-[4-(2,4,4-trimethyl-1,3-dioxolan-2-yl)phenyl]sulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate);2-[2-[4-[[4-[2,4-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-2-yl]phenyl]-phenylsulfonio]-2,6-dimethylphenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate
SMILESCc1cc([S+](c2ccccc2)c2ccc(C3(C)OC4CCCC4O3)cc2)cc(C)c1OC(=O)COC(C)C(F)(F)S(=O)(=O)[O-].Cc1cc([S+](c2ccccc2)c2ccc(C3(C)OCC(C)(C(F)(F)F)O3)cc2)cc(C)c1OC(=O)COC(C)C(F)(F)S(=O)(=O)[O-].Cc1cc([S+](c2ccccc2)c2ccc(C3(C)OCC(C)(C)O3)cc2)cc(C)c1OC(=O)COC(C)C(F)(F)S(=O)(=O)[O-].Cc1cc([S+](c2ccccc2)c2ccc(C3(C)OCC(C)(C)O3)cc2)cc(C)c1OC(=O)COC(C)C(F)(F)S(=O)(=O)[O-].Cc1cc([S+](c2ccccc2)c2ccc(C3(C)OCCCO3)cc2)cc(C)c1OC(=O)COC(C)C(F)(F)S(=O)(=O)[O-].Cc1cc([S+](c2ccccc2)c2ccc(C3(C)OCCO3)cc2)cc(C)c1OC(=O)COC(C)C(F)(F)S(=O)(=O)[O-]
InChIInChI=1S/C32H34F2O8S2.C31H31F5O8S2.2C31H34F2O8S2.C30H32F2O8S2.C29H30F2O8S2/c1-20-17-26(18-21(2)30(20)40-29(35)19-39-22(3)32(33,34)44(36,37)38)43(24-9-6-5-7-10-24)25-15-13-23(14-16-25)31(4)41-27-11-8-12-28(27)42-31;1-19-15-25(16-20(2)27(19)43-26(37)17-41-21(3)30(32,33)46(38,39)40)45(23-9-7-6-8-10-23)24-13-11-22(12-14-24)29(5)42-18-28(4,44-29)31(34,35)36;2*1-20-16-26(17-21(2)28(20)40-27(34)18-38-22(3)31(32,33)43(35,36)37)42(24-10-8-7-9-11-24)25-14-12-23(13-15-25)30(6)39-19-29(4,5)41-30;1-20-17-26(18-21(2)28(20)40-27(33)19-37-22(3)30(31,32)42(34,35)36)41(24-9-6-5-7-10-24)25-13-11-23(12-14-25)29(4)38-15-8-16-39-29;1-19-16-25(17-20(2)27(19)39-26(32)18-36-21(3)29(30,31)41(33,34)35)40(23-8-6-5-7-9-23)24-12-10-22(11-13-24)28(4)37-14-15-38-28/h5-7,9-10,13-18,22,27-28H,8,11-12,19H2,1-4H3;6-16,21H,17-18H2,1-5H3;2*7-17,22H,18-19H2,1-6H3;5-7,9-14,17-18,22H,8,15-16,19H2,1-4H3;5-13,16-17,21H,14-15,18H2,1-4H3
InChIKeyFEHCIWQCEBJOSO-UHFFFAOYSA-N
MW3844.31 g/mol
LogP34.59
Rot. Bonds60

About 2-[2-[2,6-dimethyl-4-[[4-(2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;2-[2-[2,6-dimethyl-4-[[4-(2-methyl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;2-[2-[2,6-dimethyl-4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;bis(2-[2-[2,6-dimethyl-4-[phenyl-[4-(2,4,4-trimethyl-1,3-dioxolan-2-yl)phenyl]sulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate);2-[2-[4-[[4-[2,4-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-2-yl]phenyl]-phenylsulfonio]-2,6-dimethylphenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate

2-[2-[2,6-dimethyl-4-[[4-(2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;2-[2-[2,6-dimethyl-4-[[4-(2-methyl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;2-[2-[2,6-dimethyl-4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;bis(2-[2-[2,6-dimethyl-4-[phenyl-[4-(2,4,4-trimethyl-1,3-dioxolan-2-yl)phenyl]sulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate);2-[2-[4-[[4-[2,4-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-2-yl]phenyl]-phenylsulfonio]-2,6-dimethylphenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate (PubChem CID 158005881) has the molecular formula C184H195F15O48S12 and a molecular weight of 3844.31 g/mol. Its IUPAC name is 2-[2-[2,6-dimethyl-4-[[4-(2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;2-[2-[2,6-dimethyl-4-[[4-(2-methyl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;2-[2-[2,6-dimethyl-4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;bis(2-[2-[2,6-dimethyl-4-[phenyl-[4-(2,4,4-trimethyl-1,3-dioxolan-2-yl)phenyl]sulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate);2-[2-[4-[[4-[2,4-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-2-yl]phenyl]-phenylsulfonio]-2,6-dimethylphenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate.

Molecular Properties

Compound Name2-[2-[2,6-dimethyl-4-[[4-(2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;2-[2-[2,6-dimethyl-4-[[4-(2-methyl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;2-[2-[2,6-dimethyl-4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;bis(2-[2-[2,6-dimethyl-4-[phenyl-[4-(2,4,4-trimethyl-1,3-dioxolan-2-yl)phenyl]sulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate);2-[2-[4-[[4-[2,4-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-2-yl]phenyl]-phenylsulfonio]-2,6-dimethylphenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate
PubChem CID158005881
Molecular FormulaC184H195F15O48S12
Molecular Weight3844.31 g/mol
Exact Mass3840.92
IUPAC Name2-[2-[2,6-dimethyl-4-[[4-(2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;2-[2-[2,6-dimethyl-4-[[4-(2-methyl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;2-[2-[2,6-dimethyl-4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;bis(2-[2-[2,6-dimethyl-4-[phenyl-[4-(2,4,4-trimethyl-1,3-dioxolan-2-yl)phenyl]sulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate);2-[2-[4-[[4-[2,4-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-2-yl]phenyl]-phenylsulfonio]-2,6-dimethylphenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate
SMILESCc1cc([S+](c2ccccc2)c2ccc(C3(C)OC4CCCC4O3)cc2)cc(C)c1OC(=O)COC(C)C(F)(F)S(=O)(=O)[O-].Cc1cc([S+](c2ccccc2)c2ccc(C3(C)OCC(C)(C(F)(F)F)O3)cc2)cc(C)c1OC(=O)COC(C)C(F)(F)S(=O)(=O)[O-].Cc1cc([S+](c2ccccc2)c2ccc(C3(C)OCC(C)(C)O3)cc2)cc(C)c1OC(=O)COC(C)C(F)(F)S(=O)(=O)[O-].Cc1cc([S+](c2ccccc2)c2ccc(C3(C)OCC(C)(C)O3)cc2)cc(C)c1OC(=O)COC(C)C(F)(F)S(=O)(=O)[O-].Cc1cc([S+](c2ccccc2)c2ccc(C3(C)OCCCO3)cc2)cc(C)c1OC(=O)COC(C)C(F)(F)S(=O)(=O)[O-].Cc1cc([S+](c2ccccc2)c2ccc(C3(C)OCCO3)cc2)cc(C)c1OC(=O)COC(C)C(F)(F)S(=O)(=O)[O-]
InChIInChI=1S/C32H34F2O8S2.C31H31F5O8S2.2C31H34F2O8S2.C30H32F2O8S2.C29H30F2O8S2/c1-20-17-26(18-21(2)30(20)40-29(35)19-39-22(3)32(33,34)44(36,37)38)43(24-9-6-5-7-10-24)25-15-13-23(14-16-25)31(4)41-27-11-8-12-28(27)42-31;1-19-15-25(16-20(2)27(19)43-26(37)17-41-21(3)30(32,33)46(38,39)40)45(23-9-7-6-8-10-23)24-13-11-22(12-14-24)29(5)42-18-28(4,44-29)31(34,35)36;2*1-20-16-26(17-21(2)28(20)40-27(34)18-38-22(3)31(32,33)43(35,36)37)42(24-10-8-7-9-11-24)25-14-12-23(13-15-25)30(6)39-19-29(4,5)41-30;1-20-17-26(18-21(2)28(20)40-27(33)19-37-22(3)30(31,32)42(34,35)36)41(24-9-6-5-7-10-24)25-13-11-23(12-14-25)29(4)38-15-8-16-39-29;1-19-16-25(17-20(2)27(19)39-26(32)18-36-21(3)29(30,31)41(33,34)35)40(23-8-6-5-7-9-23)24-12-10-22(11-13-24)28(4)37-14-15-38-28/h5-7,9-10,13-18,22,27-28H,8,11-12,19H2,1-4H3;6-16,21H,17-18H2,1-5H3;2*7-17,22H,18-19H2,1-6H3;5-7,9-14,17-18,22H,8,15-16,19H2,1-4H3;5-13,16-17,21H,14-15,18H2,1-4H3
InChIKeyFEHCIWQCEBJOSO-UHFFFAOYSA-N
XLogP34.59
TPSA667.14 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds60
Heavy Atoms259
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003844.31
LogP ≤ 534.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Analyze 2-[2-[2,6-dimethyl-4-[[4-(2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;2-[2-[2,6-dimethyl-4-[[4-(2-methyl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;2-[2-[2,6-dimethyl-4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;bis(2-[2-[2,6-dimethyl-4-[phenyl-[4-(2,4,4-trimethyl-1,3-dioxolan-2-yl)phenyl]sulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate);2-[2-[4-[[4-[2,4-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-2-yl]phenyl]-phenylsulfonio]-2,6-dimethylphenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2,6-dimethyl-4-[[4-(2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;2-[2-[2,6-dimethyl-4-[[4-(2-methyl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;2-[2-[2,6-dimethyl-4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;bis(2-[2-[2,6-dimethyl-4-[phenyl-[4-(2,4,4-trimethyl-1,3-dioxolan-2-yl)phenyl]sulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate);2-[2-[4-[[4-[2,4-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-2-yl]phenyl]-phenylsulfonio]-2,6-dimethylphenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate?
The IUPAC name of 2-[2-[2,6-dimethyl-4-[[4-(2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;2-[2-[2,6-dimethyl-4-[[4-(2-methyl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;2-[2-[2,6-dimethyl-4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;bis(2-[2-[2,6-dimethyl-4-[phenyl-[4-(2,4,4-trimethyl-1,3-dioxolan-2-yl)phenyl]sulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate);2-[2-[4-[[4-[2,4-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-2-yl]phenyl]-phenylsulfonio]-2,6-dimethylphenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate (CID 158005881) is 2-[2-[2,6-dimethyl-4-[[4-(2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;2-[2-[2,6-dimethyl-4-[[4-(2-methyl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;2-[2-[2,6-dimethyl-4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;bis(2-[2-[2,6-dimethyl-4-[phenyl-[4-(2,4,4-trimethyl-1,3-dioxolan-2-yl)phenyl]sulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate);2-[2-[4-[[4-[2,4-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-2-yl]phenyl]-phenylsulfonio]-2,6-dimethylphenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate.
What is the SMILES notation for 2-[2-[2,6-dimethyl-4-[[4-(2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;2-[2-[2,6-dimethyl-4-[[4-(2-methyl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;2-[2-[2,6-dimethyl-4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;bis(2-[2-[2,6-dimethyl-4-[phenyl-[4-(2,4,4-trimethyl-1,3-dioxolan-2-yl)phenyl]sulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate);2-[2-[4-[[4-[2,4-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-2-yl]phenyl]-phenylsulfonio]-2,6-dimethylphenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate?
The canonical SMILES for 2-[2-[2,6-dimethyl-4-[[4-(2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;2-[2-[2,6-dimethyl-4-[[4-(2-methyl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;2-[2-[2,6-dimethyl-4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;bis(2-[2-[2,6-dimethyl-4-[phenyl-[4-(2,4,4-trimethyl-1,3-dioxolan-2-yl)phenyl]sulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate);2-[2-[4-[[4-[2,4-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-2-yl]phenyl]-phenylsulfonio]-2,6-dimethylphenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate is Cc1cc([S+](c2ccccc2)c2ccc(C3(C)OC4CCCC4O3)cc2)cc(C)c1OC(=O)COC(C)C(F)(F)S(=O)(=O)[O-].Cc1cc([S+](c2ccccc2)c2ccc(C3(C)OCC(C)(C(F)(F)F)O3)cc2)cc(C)c1OC(=O)COC(C)C(F)(F)S(=O)(=O)[O-].Cc1cc([S+](c2ccccc2)c2ccc(C3(C)OCC(C)(C)O3)cc2)cc(C)c1OC(=O)COC(C)C(F)(F)S(=O)(=O)[O-].Cc1cc([S+](c2ccccc2)c2ccc(C3(C)OCC(C)(C)O3)cc2)cc(C)c1OC(=O)COC(C)C(F)(F)S(=O)(=O)[O-].Cc1cc([S+](c2ccccc2)c2ccc(C3(C)OCCCO3)cc2)cc(C)c1OC(=O)COC(C)C(F)(F)S(=O)(=O)[O-].Cc1cc([S+](c2ccccc2)c2ccc(C3(C)OCCO3)cc2)cc(C)c1OC(=O)COC(C)C(F)(F)S(=O)(=O)[O-].
What is the InChIKey of 2-[2-[2,6-dimethyl-4-[[4-(2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;2-[2-[2,6-dimethyl-4-[[4-(2-methyl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;2-[2-[2,6-dimethyl-4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;bis(2-[2-[2,6-dimethyl-4-[phenyl-[4-(2,4,4-trimethyl-1,3-dioxolan-2-yl)phenyl]sulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate);2-[2-[4-[[4-[2,4-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-2-yl]phenyl]-phenylsulfonio]-2,6-dimethylphenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate?
The InChIKey is FEHCIWQCEBJOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F2O8S2.C31H31F5O8S2.2C31H34F2O8S2.C30H32F2O8S2.C29H30F2O8S2/c1-20-17-26(18-21(2)30(20)40-29(35)19-39-22(3)32(33,34)44(36,37)38)43(24-9-6-5-7-10-24)25-15-13-23(14-16-25)31(4)41-27-11-8-12-28(27)42-31;1-19-15-25(16-20(2)27(19)43-26(37)17-41-21(3)30(32,33)46(38,39)40)45(23-9-7-6-8-10-23)24-13-11-22(12-14-24)29(5)42-18-28(4,44-29)31(34,35)36;2*1-20-16-26(17-21(2)28(20)40-27(34)18-38-22(3)31(32,33)43(35,36)37)42(24-10-8-7-9-11-24)25-14-12-23(13-15-25)30(6)39-19-29(4,5)41-30;1-20-17-26(18-21(2)28(20)40-27(33)19-37-22(3)30(31,32)42(34,35)36)41(24-9-6-5-7-10-24)25-13-11-23(12-14-25)29(4)38-15-8-16-39-29;1-19-16-25(17-20(2)27(19)39-26(32)18-36-21(3)29(30,31)41(33,34)35)40(23-8-6-5-7-9-23)24-12-10-22(11-13-24)28(4)37-14-15-38-28/h5-7,9-10,13-18,22,27-28H,8,11-12,19H2,1-4H3;6-16,21H,17-18H2,1-5H3;2*7-17,22H,18-19H2,1-6H3;5-7,9-14,17-18,22H,8,15-16,19H2,1-4H3;5-13,16-17,21H,14-15,18H2,1-4H3.
What are the key properties of 2-[2-[2,6-dimethyl-4-[[4-(2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;2-[2-[2,6-dimethyl-4-[[4-(2-methyl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;2-[2-[2,6-dimethyl-4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;bis(2-[2-[2,6-dimethyl-4-[phenyl-[4-(2,4,4-trimethyl-1,3-dioxolan-2-yl)phenyl]sulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate);2-[2-[4-[[4-[2,4-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-2-yl]phenyl]-phenylsulfonio]-2,6-dimethylphenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate?
2-[2-[2,6-dimethyl-4-[[4-(2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;2-[2-[2,6-dimethyl-4-[[4-(2-methyl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;2-[2-[2,6-dimethyl-4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;bis(2-[2-[2,6-dimethyl-4-[phenyl-[4-(2,4,4-trimethyl-1,3-dioxolan-2-yl)phenyl]sulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate);2-[2-[4-[[4-[2,4-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-2-yl]phenyl]-phenylsulfonio]-2,6-dimethylphenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate has a molecular weight of 3844.31 g/mol, XLogP of 34.59, 60 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2,6-dimethyl-4-[[4-(2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;2-[2-[2,6-dimethyl-4-[[4-(2-methyl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;2-[2-[2,6-dimethyl-4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate;bis(2-[2-[2,6-dimethyl-4-[phenyl-[4-(2,4,4-trimethyl-1,3-dioxolan-2-yl)phenyl]sulfonio]phenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate);2-[2-[4-[[4-[2,4-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-2-yl]phenyl]-phenylsulfonio]-2,6-dimethylphenoxy]-2-oxoethoxy]-1,1-difluoropropane-1-sulfonate is sourced from PubChem (CID 158005881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).