(6-cyano-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 3-O-(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) propanedioate;(2,2-dioxo-3,3a,4,5,6,6a-hexahydrocyclopenta[d]oxathiol-3-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(7,7-dioxo-6-oxa-7λ6-thiabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2,2-dimethylbutanoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-4-yl) 2,2-dimethylbutanoate;[5,5-dioxo-6-(trifluoromethyl)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl] 2,2-dimethylbutanoate;methane;methyl 2-(2,2-dimethylbutanoyloxy)-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carboxylate

C150H230F3NO65S11 — CID 158821003

About (6-cyano-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 3-O-(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) propanedioate;(2,2-dioxo-3,3a,4,5,6,6a-hexahydrocyclopenta[d]oxathiol-3-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(7,7-dioxo-6-oxa-7λ6-thiabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2,2-dimethylbutanoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-4-yl) 2,2-dimethylbutanoate;[5,5-dioxo-6-(trifluoromethyl)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl] 2,2-dimethylbutanoate;methane;methyl 2-(2,2-dimethylbutanoyloxy)-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carboxylate

(6-cyano-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 3-O-(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) propanedioate;(2,2-dioxo-3,3a,4,5,6,6a-hexahydrocyclopenta[d]oxathiol-3-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(7,7-dioxo-6-oxa-7λ6-thiabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2,2-dimethylbutanoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-4-yl) 2,2-dimethylbutanoate;[5,5-dioxo-6-(trifluoromethyl)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl] 2,2-dimethylbutanoate;methane;methyl 2-(2,2-dimethylbutanoyloxy)-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carboxylate (PubChem CID 158821003) has the molecular formula C150H230F3NO65S11 and a molecular weight of 3497.16 g/mol. Its IUPAC name is (6-cyano-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 3-O-(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) propanedioate;(2,2-dioxo-3,3a,4,5,6,6a-hexahydrocyclopenta[d]oxathiol-3-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(7,7-dioxo-6-oxa-7λ6-thiabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2,2-dimethylbutanoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-4-yl) 2,2-dimethylbutanoate;[5,5-dioxo-6-(trifluoromethyl)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl] 2,2-dimethylbutanoate;methane;methyl 2-(2,2-dimethylbutanoyloxy)-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carboxylate.

Molecular Properties

• Compound Name: (6-cyano-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 3-O-(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) propanedioate;(2,2-dioxo-3,3a,4,5,6,6a-hexahydrocyclopenta[d]oxathiol-3-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(7,7-dioxo-6-oxa-7λ6-thiabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2,2-dimethylbutanoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-4-yl) 2,2-dimethylbutanoate;[5,5-dioxo-6-(trifluoromethyl)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl] 2,2-dimethylbutanoate;methane;methyl 2-(2,2-dimethylbutanoyloxy)-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carboxylate
• PubChem CID: 158821003
• Molecular Formula: C150H230F3NO65S11
• Molecular Weight: 3497.16 g/mol
• Exact Mass: 3494.16
• IUPAC Name: (6-cyano-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 3-O-(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) propanedioate;(2,2-dioxo-3,3a,4,5,6,6a-hexahydrocyclopenta[d]oxathiol-3-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(7,7-dioxo-6-oxa-7λ6-thiabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2,2-dimethylbutanoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-4-yl) 2,2-dimethylbutanoate;[5,5-dioxo-6-(trifluoromethyl)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl] 2,2-dimethylbutanoate;methane;methyl 2-(2,2-dimethylbutanoyloxy)-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carboxylate
• SMILES: C.CCC(C)(C)C(=O)OC1C2CC3C(O2)C1OS3(=O)=O.CCC(C)(C)C(=O)OC1C2CC3C1OS(=O)(=O)C3(C#N)C2.CCC(C)(C)C(=O)OC1C2CC3C1OS(=O)(=O)C3(C(F)(F)F)C2.CCC(C)(C)C(=O)OC1C2CC3C1OS(=O)(=O)C3C2.CCC(C)(C)C(=O)OC1C2CC3C1OS(=O)(=O)C3C2C(=O)OC.CCC(C)(C)C(=O)OC1C2CCCC2OS1(=O)=O.CCC(C)(C)C(=O)OC1CCC2CC1OS2(=O)=O.CCC(C)(C)C(=O)OC1COS(=O)(=O)C1.CCC(C)(C)C(=O)OCC(=O)OC1C2CC3C1OS(=O)(=O)C3C2.CCC(C)(C)C(=O)OCCOC(=O)CC(=O)OC1C2CC3C1OS(=O)(=O)C3C2.CCC(C)(C)C(=O)OCCOC1C2CC3C1OS(=O)(=O)C3C2
• InChI: InChI=1S/C18H26O9S.2C15H22O7S.C15H24O6S.C14H19F3O5S.C14H19NO5S.C13H20O5S.C12H18O6S.2C12H20O5S.C9H16O5S.CH4/c1-4-18(2,3)17(21)25-6-5-24-13(19)9-14(20)26-15-10-7-11-12(8-10)28(22,23)27-16(11)15;1-5-15(2,3)14(17)21-10-7-6-8-11(10)22-23(18,19)12(8)9(7)13(16)20-4;1-4-15(2,3)14(17)20-7-11(16)21-12-8-5-9-10(6-8)23(18,19)22-13(9)12;1-4-15(2,3)14(16)20-6-5-19-12-9-7-10-11(8-9)22(17,18)21-13(10)12;1-4-12(2,3)11(18)21-9-7-5-8-10(9)22-23(19,20)13(8,6-7)14(15,16)17;1-4-13(2,3)12(16)19-10-8-5-9-11(10)20-21(17,18)14(9,6-8)7-15;1-4-13(2,3)12(14)17-10-7-5-8-9(6-7)19(15,16)18-11(8)10;1-4-12(2,3)11(13)17-8-6-5-7-9(16-6)10(8)18-19(7,14)15;1-4-12(2,3)11(13)16-9-6-5-8-7-10(9)17-18(8,14)15;1-4-12(2,3)11(13)16-10-8-6-5-7-9(8)17-18(10,14)15;1-4-9(2,3)8(10)14-7-5-13-15(11,12)6-7;/h10-12,15-16H,4-9H2,1-3H3;7-12H,5-6H2,1-4H3;8-10,12-13H,4-7H2,1-3H3;9-13H,4-8H2,1-3H3;7-10H,4-6H2,1-3H3;8-11H,4-6H2,1-3H3;7-11H,4-6H2,1-3H3;6-10H,4-5H2,1-3H3;2*8-10H,4-7H2,1-3H3;7H,4-6H2,1-3H3;1H4
• InChIKey: IVWIPZPFAQSWIU-UHFFFAOYSA-N
• XLogP: 14.93
• TPSA: 913.82 Ų
• H-Bond Acceptors: 66
• Rotatable Bonds: 44
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3497.16
LogP ≤ 5	14.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	66

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6-cyano-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 3-O-(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) propanedioate;(2,2-dioxo-3,3a,4,5,6,6a-hexahydrocyclopenta[d]oxathiol-3-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(7,7-dioxo-6-oxa-7λ6-thiabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2,2-dimethylbutanoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-4-yl) 2,2-dimethylbutanoate;[5,5-dioxo-6-(trifluoromethyl)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl] 2,2-dimethylbutanoate;methane;methyl 2-(2,2-dimethylbutanoyloxy)-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carboxylate?

The IUPAC name of (6-cyano-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 3-O-(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) propanedioate;(2,2-dioxo-3,3a,4,5,6,6a-hexahydrocyclopenta[d]oxathiol-3-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(7,7-dioxo-6-oxa-7λ6-thiabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2,2-dimethylbutanoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-4-yl) 2,2-dimethylbutanoate;[5,5-dioxo-6-(trifluoromethyl)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl] 2,2-dimethylbutanoate;methane;methyl 2-(2,2-dimethylbutanoyloxy)-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carboxylate (CID 158821003) is (6-cyano-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 3-O-(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) propanedioate;(2,2-dioxo-3,3a,4,5,6,6a-hexahydrocyclopenta[d]oxathiol-3-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(7,7-dioxo-6-oxa-7λ6-thiabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2,2-dimethylbutanoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-4-yl) 2,2-dimethylbutanoate;[5,5-dioxo-6-(trifluoromethyl)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl] 2,2-dimethylbutanoate;methane;methyl 2-(2,2-dimethylbutanoyloxy)-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carboxylate.

What is the SMILES notation for (6-cyano-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 3-O-(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) propanedioate;(2,2-dioxo-3,3a,4,5,6,6a-hexahydrocyclopenta[d]oxathiol-3-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(7,7-dioxo-6-oxa-7λ6-thiabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2,2-dimethylbutanoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-4-yl) 2,2-dimethylbutanoate;[5,5-dioxo-6-(trifluoromethyl)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl] 2,2-dimethylbutanoate;methane;methyl 2-(2,2-dimethylbutanoyloxy)-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carboxylate?

The canonical SMILES for (6-cyano-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 3-O-(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) propanedioate;(2,2-dioxo-3,3a,4,5,6,6a-hexahydrocyclopenta[d]oxathiol-3-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(7,7-dioxo-6-oxa-7λ6-thiabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2,2-dimethylbutanoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-4-yl) 2,2-dimethylbutanoate;[5,5-dioxo-6-(trifluoromethyl)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl] 2,2-dimethylbutanoate;methane;methyl 2-(2,2-dimethylbutanoyloxy)-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carboxylate is C.CCC(C)(C)C(=O)OC1C2CC3C(O2)C1OS3(=O)=O.CCC(C)(C)C(=O)OC1C2CC3C1OS(=O)(=O)C3(C#N)C2.CCC(C)(C)C(=O)OC1C2CC3C1OS(=O)(=O)C3(C(F)(F)F)C2.CCC(C)(C)C(=O)OC1C2CC3C1OS(=O)(=O)C3C2.CCC(C)(C)C(=O)OC1C2CC3C1OS(=O)(=O)C3C2C(=O)OC.CCC(C)(C)C(=O)OC1C2CCCC2OS1(=O)=O.CCC(C)(C)C(=O)OC1CCC2CC1OS2(=O)=O.CCC(C)(C)C(=O)OC1COS(=O)(=O)C1.CCC(C)(C)C(=O)OCC(=O)OC1C2CC3C1OS(=O)(=O)C3C2.CCC(C)(C)C(=O)OCCOC(=O)CC(=O)OC1C2CC3C1OS(=O)(=O)C3C2.CCC(C)(C)C(=O)OCCOC1C2CC3C1OS(=O)(=O)C3C2.

What is the InChIKey of (6-cyano-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 3-O-(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) propanedioate;(2,2-dioxo-3,3a,4,5,6,6a-hexahydrocyclopenta[d]oxathiol-3-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(7,7-dioxo-6-oxa-7λ6-thiabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2,2-dimethylbutanoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-4-yl) 2,2-dimethylbutanoate;[5,5-dioxo-6-(trifluoromethyl)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl] 2,2-dimethylbutanoate;methane;methyl 2-(2,2-dimethylbutanoyloxy)-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carboxylate?

The InChIKey is IVWIPZPFAQSWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O9S.2C15H22O7S.C15H24O6S.C14H19F3O5S.C14H19NO5S.C13H20O5S.C12H18O6S.2C12H20O5S.C9H16O5S.CH4/c1-4-18(2,3)17(21)25-6-5-24-13(19)9-14(20)26-15-10-7-11-12(8-10)28(22,23)27-16(11)15;1-5-15(2,3)14(17)21-10-7-6-8-11(10)22-23(18,19)12(8)9(7)13(16)20-4;1-4-15(2,3)14(17)20-7-11(16)21-12-8-5-9-10(6-8)23(18,19)22-13(9)12;1-4-15(2,3)14(16)20-6-5-19-12-9-7-10-11(8-9)22(17,18)21-13(10)12;1-4-12(2,3)11(18)21-9-7-5-8-10(9)22-23(19,20)13(8,6-7)14(15,16)17;1-4-13(2,3)12(16)19-10-8-5-9-11(10)20-21(17,18)14(9,6-8)7-15;1-4-13(2,3)12(14)17-10-7-5-8-9(6-7)19(15,16)18-11(8)10;1-4-12(2,3)11(13)17-8-6-5-7-9(16-6)10(8)18-19(7,14)15;1-4-12(2,3)11(13)16-9-6-5-8-7-10(9)17-18(8,14)15;1-4-12(2,3)11(13)16-10-8-6-5-7-9(8)17-18(10,14)15;1-4-9(2,3)8(10)14-7-5-13-15(11,12)6-7;/h10-12,15-16H,4-9H2,1-3H3;7-12H,5-6H2,1-4H3;8-10,12-13H,4-7H2,1-3H3;9-13H,4-8H2,1-3H3;7-10H,4-6H2,1-3H3;8-11H,4-6H2,1-3H3;7-11H,4-6H2,1-3H3;6-10H,4-5H2,1-3H3;2*8-10H,4-7H2,1-3H3;7H,4-6H2,1-3H3;1H4.

What are the key properties of (6-cyano-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 3-O-(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) propanedioate;(2,2-dioxo-3,3a,4,5,6,6a-hexahydrocyclopenta[d]oxathiol-3-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(7,7-dioxo-6-oxa-7λ6-thiabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2,2-dimethylbutanoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-4-yl) 2,2-dimethylbutanoate;[5,5-dioxo-6-(trifluoromethyl)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl] 2,2-dimethylbutanoate;methane;methyl 2-(2,2-dimethylbutanoyloxy)-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carboxylate?

(6-cyano-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 3-O-(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) propanedioate;(2,2-dioxo-3,3a,4,5,6,6a-hexahydrocyclopenta[d]oxathiol-3-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(7,7-dioxo-6-oxa-7λ6-thiabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2,2-dimethylbutanoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-4-yl) 2,2-dimethylbutanoate;[5,5-dioxo-6-(trifluoromethyl)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl] 2,2-dimethylbutanoate;methane;methyl 2-(2,2-dimethylbutanoyloxy)-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carboxylate has a molecular weight of 3497.16 g/mol, XLogP of 14.93, 44 rotatable bonds, 0 hydrogen bond donors, and 66 hydrogen bond acceptors.

Where does this data come from?

All data for (6-cyano-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 3-O-(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) propanedioate;(2,2-dioxo-3,3a,4,5,6,6a-hexahydrocyclopenta[d]oxathiol-3-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(7,7-dioxo-6-oxa-7λ6-thiabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2,2-dimethylbutanoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-4-yl) 2,2-dimethylbutanoate;[5,5-dioxo-6-(trifluoromethyl)-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl] 2,2-dimethylbutanoate;methane;methyl 2-(2,2-dimethylbutanoyloxy)-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carboxylate is sourced from PubChem (CID 158821003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).