(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,2,3,8-tetramethyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;hexakis(triphenylsulfanium)

C167H152F12O54S18 — CID 157101550

IUPAC(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,2,3,8-tetramethyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;hexakis(triphenylsulfanium)
SMILESCC1(OC(=O)C(F)(F)SOO[O-])C2CC3OS(=O)(=O)C1C3O2.CC12CC3OC1C(C3OC(=O)C(F)(F)SOO[O-])S(=O)(=O)O2.CC12CC3OS(=O)(=O)C(C3O1)C2OC(=O)C(F)(F)SOO[O-].CC1C2C3C(OC(=O)C(F)(F)SOO[O-])C1(C)C(C)C2(C)OS3(=O)=O.O=C(COC(=O)C(F)(F)SOO[O-])OC1C2CC3OS(=O)(=O)C1C3C2.O=C(OC1C2CC3OS(=O)(=O)C1C3O2)C(F)(F)SOO[O-].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.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/6C18H15S.C13H18F2O8S2.C11H12F2O10S2.3C9H10F2O9S2.C8H8F2O9S2/c6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-7-8-9(20-10(16)13(14,15)24-23-22-17)11(5,3)6(2)12(7,4)21-25(8,18)19;12-11(13,24-23-22-16)10(15)19-3-7(14)20-8-4-1-5-6(2-4)21-25(17,18)9(5)8;1-8-2-3-4(17-8)5(22(14,15)18-3)6(8)16-7(12)9(10,11)21-20-19-13;1-8-2-3-4(5(6(8)16-3)22(14,15)18-8)17-7(12)9(10,11)21-20-19-13;1-8(17-7(12)9(10,11)21-20-19-13)4-2-3-5(16-4)6(8)22(14,15)18-3;9-8(10,20-19-18-12)7(11)16-4-2-1-3-5(15-2)6(4)21(13,14)17-3/h6*1-15H;5-9,17H,1-4H3;4-6,8-9,16H,1-3H2;3*3-6,13H,2H2,1H3;2-6,12H,1H2/q6*+1;;;;;;/p-6
InChIKeyAFUYFOOFTBCLOP-UHFFFAOYSA-H
MW3828.18 g/mol
LogP24.20
Rot. Bonds50

About (5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,2,3,8-tetramethyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;hexakis(triphenylsulfanium)

(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,2,3,8-tetramethyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;hexakis(triphenylsulfanium) (PubChem CID 157101550) has the molecular formula C167H152F12O54S18 and a molecular weight of 3828.18 g/mol. Its IUPAC name is (5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,2,3,8-tetramethyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;hexakis(triphenylsulfanium).

Molecular Properties

Compound Name(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,2,3,8-tetramethyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;hexakis(triphenylsulfanium)
PubChem CID157101550
Molecular FormulaC167H152F12O54S18
Molecular Weight3828.18 g/mol
Exact Mass3824.39
IUPAC Name(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,2,3,8-tetramethyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;hexakis(triphenylsulfanium)
SMILESCC1(OC(=O)C(F)(F)SOO[O-])C2CC3OS(=O)(=O)C1C3O2.CC12CC3OC1C(C3OC(=O)C(F)(F)SOO[O-])S(=O)(=O)O2.CC12CC3OS(=O)(=O)C(C3O1)C2OC(=O)C(F)(F)SOO[O-].CC1C2C3C(OC(=O)C(F)(F)SOO[O-])C1(C)C(C)C2(C)OS3(=O)=O.O=C(COC(=O)C(F)(F)SOO[O-])OC1C2CC3OS(=O)(=O)C1C3C2.O=C(OC1C2CC3OS(=O)(=O)C1C3O2)C(F)(F)SOO[O-].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.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/6C18H15S.C13H18F2O8S2.C11H12F2O10S2.3C9H10F2O9S2.C8H8F2O9S2/c6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-7-8-9(20-10(16)13(14,15)24-23-22-17)11(5,3)6(2)12(7,4)21-25(8,18)19;12-11(13,24-23-22-16)10(15)19-3-7(14)20-8-4-1-5-6(2-4)21-25(17,18)9(5)8;1-8-2-3-4(17-8)5(22(14,15)18-3)6(8)16-7(12)9(10,11)21-20-19-13;1-8-2-3-4(5(6(8)16-3)22(14,15)18-8)17-7(12)9(10,11)21-20-19-13;1-8(17-7(12)9(10,11)21-20-19-13)4-2-3-5(16-4)6(8)22(14,15)18-3;9-8(10,20-19-18-12)7(11)16-4-2-1-3-5(15-2)6(4)21(13,14)17-3/h6*1-15H;5-9,17H,1-4H3;4-6,8-9,16H,1-3H2;3*3-6,13H,2H2,1H3;2-6,12H,1H2/q6*+1;;;;;;/p-6
InChIKeyAFUYFOOFTBCLOP-UHFFFAOYSA-H
XLogP24.20
TPSA730.36 Ų
H-Bond Donors
H-Bond Acceptors60
Rotatable Bonds50
Heavy Atoms251
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003828.18
LogP ≤ 524.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1060

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze (5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,2,3,8-tetramethyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;hexakis(triphenylsulfanium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,2,3,8-tetramethyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;hexakis(triphenylsulfanium)?
The IUPAC name of (5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,2,3,8-tetramethyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;hexakis(triphenylsulfanium) (CID 157101550) is (5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,2,3,8-tetramethyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;hexakis(triphenylsulfanium).
What is the SMILES notation for (5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,2,3,8-tetramethyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;hexakis(triphenylsulfanium)?
The canonical SMILES for (5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,2,3,8-tetramethyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;hexakis(triphenylsulfanium) is CC1(OC(=O)C(F)(F)SOO[O-])C2CC3OS(=O)(=O)C1C3O2.CC12CC3OC1C(C3OC(=O)C(F)(F)SOO[O-])S(=O)(=O)O2.CC12CC3OS(=O)(=O)C(C3O1)C2OC(=O)C(F)(F)SOO[O-].CC1C2C3C(OC(=O)C(F)(F)SOO[O-])C1(C)C(C)C2(C)OS3(=O)=O.O=C(COC(=O)C(F)(F)SOO[O-])OC1C2CC3OS(=O)(=O)C1C3C2.O=C(OC1C2CC3OS(=O)(=O)C1C3O2)C(F)(F)SOO[O-].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.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,2,3,8-tetramethyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;hexakis(triphenylsulfanium)?
The InChIKey is AFUYFOOFTBCLOP-UHFFFAOYSA-H. The full InChI is InChI=1S/6C18H15S.C13H18F2O8S2.C11H12F2O10S2.3C9H10F2O9S2.C8H8F2O9S2/c6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-7-8-9(20-10(16)13(14,15)24-23-22-17)11(5,3)6(2)12(7,4)21-25(8,18)19;12-11(13,24-23-22-16)10(15)19-3-7(14)20-8-4-1-5-6(2-4)21-25(17,18)9(5)8;1-8-2-3-4(17-8)5(22(14,15)18-3)6(8)16-7(12)9(10,11)21-20-19-13;1-8-2-3-4(5(6(8)16-3)22(14,15)18-8)17-7(12)9(10,11)21-20-19-13;1-8(17-7(12)9(10,11)21-20-19-13)4-2-3-5(16-4)6(8)22(14,15)18-3;9-8(10,20-19-18-12)7(11)16-4-2-1-3-5(15-2)6(4)21(13,14)17-3/h6*1-15H;5-9,17H,1-4H3;4-6,8-9,16H,1-3H2;3*3-6,13H,2H2,1H3;2-6,12H,1H2/q6*+1;;;;;;/p-6.
What are the key properties of (5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,2,3,8-tetramethyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;hexakis(triphenylsulfanium)?
(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,2,3,8-tetramethyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;hexakis(triphenylsulfanium) has a molecular weight of 3828.18 g/mol, XLogP of 24.20, 50 rotatable bonds, 0 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,2,3,8-tetramethyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;hexakis(triphenylsulfanium) is sourced from PubChem (CID 157101550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).