[2-[[1-(acetyloxymethyl)-7-(2-formyloxyethyl)-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] prop-2-enoate;[2-[[1,7-bis(hydroxymethyl)-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] prop-2-enoate;[2-[(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(2-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(7-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-oxo-2-[(1,2,3-trimethyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] prop-2-enoate

C115H136O78S9 — CID 160992859

About [2-[[1-(acetyloxymethyl)-7-(2-formyloxyethyl)-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] prop-2-enoate;[2-[[1,7-bis(hydroxymethyl)-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] prop-2-enoate;[2-[(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(2-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(7-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-oxo-2-[(1,2,3-trimethyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] prop-2-enoate

[2-[[1-(acetyloxymethyl)-7-(2-formyloxyethyl)-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] prop-2-enoate;[2-[[1,7-bis(hydroxymethyl)-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] prop-2-enoate;[2-[(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(2-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(7-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-oxo-2-[(1,2,3-trimethyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] prop-2-enoate (PubChem CID 160992859) has the molecular formula C115H136O78S9 and a molecular weight of 3054.88 g/mol. Its IUPAC name is [2-[[1-(acetyloxymethyl)-7-(2-formyloxyethyl)-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] prop-2-enoate;[2-[[1,7-bis(hydroxymethyl)-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] prop-2-enoate;[2-[(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(2-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(7-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-oxo-2-[(1,2,3-trimethyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] prop-2-enoate.

Molecular Properties

• Compound Name: [2-[[1-(acetyloxymethyl)-7-(2-formyloxyethyl)-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] prop-2-enoate;[2-[[1,7-bis(hydroxymethyl)-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] prop-2-enoate;[2-[(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(2-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(7-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-oxo-2-[(1,2,3-trimethyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] prop-2-enoate
• PubChem CID: 160992859
• Molecular Formula: C115H136O78S9
• Molecular Weight: 3054.88 g/mol
• Exact Mass: 3052.42
• IUPAC Name: [2-[[1-(acetyloxymethyl)-7-(2-formyloxyethyl)-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] prop-2-enoate;[2-[[1,7-bis(hydroxymethyl)-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] prop-2-enoate;[2-[(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(2-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(7-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-oxo-2-[(1,2,3-trimethyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] prop-2-enoate
• SMILES: C=CC(=O)OCC(=O)OC1(C)C2(C)CC3C(O2)C1(C)OS3(=O)=O.C=CC(=O)OCC(=O)OC1(C)C2CC3C(O2)C1OS3(=O)=O.C=CC(=O)OCC(=O)OC1C2CC3C(C)(O2)C1OS3(=O)=O.C=CC(=O)OCC(=O)OC1C2CC3C(O2)C1(C)OS3(=O)=O.C=CC(=O)OCC(=O)OC1C2CC3C(O2)C1OS3(=O)=O.C=CC(=O)OCC(=O)OC1C2OC3C1OS(=O)(=O)C3C2C.C=CC(=O)OCC(=O)OC1C2OS(=O)(=O)C3CC1(C)OC23.C=CC(=O)OCC(=O)OC1C2OS(=O)(=O)C3CC1(CO)OC23CO.C=CC(=O)OCC(=O)OC1C2OS(=O)(=O)C3CC1(COC(C)=O)OC23CCOC=O
• InChI: InChI=1S/C17H20O12S.C14H18O8S.C13H16O10S.5C12H14O8S.C11H12O8S/c1-3-12(20)25-7-13(21)27-14-15-17(4-5-24-9-18)11(30(22,23)28-15)6-16(14,29-17)8-26-10(2)19;1-5-9(15)19-7-10(16)20-14(4)12(2)6-8-11(21-12)13(14,3)22-23(8,17)18;1-2-8(16)20-4-9(17)21-10-11-13(6-15)7(24(18,19)22-11)3-12(10,5-14)23-13;1-3-8(13)17-5-9(14)18-10-6-4-7-12(2,19-6)11(10)20-21(7,15)16;1-3-8(13)17-5-9(14)19-12(2)7-4-6-10(18-7)11(12)20-21(6,15)16;1-3-8(13)17-5-9(14)19-10-6-4-7-11(18-6)12(10,2)20-21(7,15)16;1-3-7(13)17-5-8(14)18-11-10-9-6(21(15,16)20-10)4-12(11,2)19-9;1-3-6(13)17-4-7(14)18-9-8-5(2)12-11(19-8)10(9)20-21(12,15)16;1-2-7(12)16-4-8(13)18-9-5-3-6-10(17-5)11(9)19-20(6,14)15/h3,9,11,14-15H,1,4-8H2,2H3;5,8,11H,1,6-7H2,2-4H3;2,7,10-11,14-15H,1,3-6H2;3*3,6-7,10-11H,1,4-5H2,2H3;3,6,9-11H,1,4-5H2,2H3;3,5,8-12H,1,4H2,2H3;2,5-6,9-11H,1,3-4H2
• InChIKey: TUWGGLOPRIQIGX-UHFFFAOYSA-N
• XLogP: -8.37
• TPSA: 1039.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 78
• Rotatable Bonds: 44
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3054.88
LogP ≤ 5	-8.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	78

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[[1-(acetyloxymethyl)-7-(2-formyloxyethyl)-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] prop-2-enoate;[2-[[1,7-bis(hydroxymethyl)-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] prop-2-enoate;[2-[(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(2-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(7-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-oxo-2-[(1,2,3-trimethyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] prop-2-enoate?

The IUPAC name of [2-[[1-(acetyloxymethyl)-7-(2-formyloxyethyl)-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] prop-2-enoate;[2-[[1,7-bis(hydroxymethyl)-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] prop-2-enoate;[2-[(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(2-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(7-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-oxo-2-[(1,2,3-trimethyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] prop-2-enoate (CID 160992859) is [2-[[1-(acetyloxymethyl)-7-(2-formyloxyethyl)-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] prop-2-enoate;[2-[[1,7-bis(hydroxymethyl)-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] prop-2-enoate;[2-[(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(2-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(7-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-oxo-2-[(1,2,3-trimethyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] prop-2-enoate.

What is the SMILES notation for [2-[[1-(acetyloxymethyl)-7-(2-formyloxyethyl)-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] prop-2-enoate;[2-[[1,7-bis(hydroxymethyl)-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] prop-2-enoate;[2-[(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(2-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(7-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-oxo-2-[(1,2,3-trimethyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] prop-2-enoate?

The canonical SMILES for [2-[[1-(acetyloxymethyl)-7-(2-formyloxyethyl)-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] prop-2-enoate;[2-[[1,7-bis(hydroxymethyl)-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] prop-2-enoate;[2-[(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(2-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(7-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-oxo-2-[(1,2,3-trimethyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] prop-2-enoate is C=CC(=O)OCC(=O)OC1(C)C2(C)CC3C(O2)C1(C)OS3(=O)=O.C=CC(=O)OCC(=O)OC1(C)C2CC3C(O2)C1OS3(=O)=O.C=CC(=O)OCC(=O)OC1C2CC3C(C)(O2)C1OS3(=O)=O.C=CC(=O)OCC(=O)OC1C2CC3C(O2)C1(C)OS3(=O)=O.C=CC(=O)OCC(=O)OC1C2CC3C(O2)C1OS3(=O)=O.C=CC(=O)OCC(=O)OC1C2OC3C1OS(=O)(=O)C3C2C.C=CC(=O)OCC(=O)OC1C2OS(=O)(=O)C3CC1(C)OC23.C=CC(=O)OCC(=O)OC1C2OS(=O)(=O)C3CC1(CO)OC23CO.C=CC(=O)OCC(=O)OC1C2OS(=O)(=O)C3CC1(COC(C)=O)OC23CCOC=O.

What is the InChIKey of [2-[[1-(acetyloxymethyl)-7-(2-formyloxyethyl)-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] prop-2-enoate;[2-[[1,7-bis(hydroxymethyl)-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] prop-2-enoate;[2-[(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(2-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(7-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-oxo-2-[(1,2,3-trimethyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] prop-2-enoate?

The InChIKey is TUWGGLOPRIQIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O12S.C14H18O8S.C13H16O10S.5C12H14O8S.C11H12O8S/c1-3-12(20)25-7-13(21)27-14-15-17(4-5-24-9-18)11(30(22,23)28-15)6-16(14,29-17)8-26-10(2)19;1-5-9(15)19-7-10(16)20-14(4)12(2)6-8-11(21-12)13(14,3)22-23(8,17)18;1-2-8(16)20-4-9(17)21-10-11-13(6-15)7(24(18,19)22-11)3-12(10,5-14)23-13;1-3-8(13)17-5-9(14)18-10-6-4-7-12(2,19-6)11(10)20-21(7,15)16;1-3-8(13)17-5-9(14)19-12(2)7-4-6-10(18-7)11(12)20-21(6,15)16;1-3-8(13)17-5-9(14)19-10-6-4-7-11(18-6)12(10,2)20-21(7,15)16;1-3-7(13)17-5-8(14)18-11-10-9-6(21(15,16)20-10)4-12(11,2)19-9;1-3-6(13)17-4-7(14)18-9-8-5(2)12-11(19-8)10(9)20-21(12,15)16;1-2-7(12)16-4-8(13)18-9-5-3-6-10(17-5)11(9)19-20(6,14)15/h3,9,11,14-15H,1,4-8H2,2H3;5,8,11H,1,6-7H2,2-4H3;2,7,10-11,14-15H,1,3-6H2;3*3,6-7,10-11H,1,4-5H2,2H3;3,6,9-11H,1,4-5H2,2H3;3,5,8-12H,1,4H2,2H3;2,5-6,9-11H,1,3-4H2.

What are the key properties of [2-[[1-(acetyloxymethyl)-7-(2-formyloxyethyl)-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] prop-2-enoate;[2-[[1,7-bis(hydroxymethyl)-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] prop-2-enoate;[2-[(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(2-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(7-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-oxo-2-[(1,2,3-trimethyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] prop-2-enoate?

[2-[[1-(acetyloxymethyl)-7-(2-formyloxyethyl)-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] prop-2-enoate;[2-[[1,7-bis(hydroxymethyl)-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] prop-2-enoate;[2-[(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(2-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(7-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-oxo-2-[(1,2,3-trimethyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] prop-2-enoate has a molecular weight of 3054.88 g/mol, XLogP of -8.37, 44 rotatable bonds, 2 hydrogen bond donors, and 78 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[1-(acetyloxymethyl)-7-(2-formyloxyethyl)-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] prop-2-enoate;[2-[[1,7-bis(hydroxymethyl)-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] prop-2-enoate;[2-[(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(2-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(7-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] prop-2-enoate;[2-oxo-2-[(1,2,3-trimethyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] prop-2-enoate is sourced from PubChem (CID 160992859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).