About 2-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;6-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;4-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2-trifluorobutane-1-sulfonate;3-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2-trifluoropropane-1-sulfonate
2-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;6-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;4-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2-trifluorobutane-1-sulfonate;3-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2-trifluoropropane-1-sulfonate (PubChem CID 161089072) has the molecular formula C112H101F21O60S12-6
and a molecular weight of 3190.74 g/mol. Its IUPAC name is 2-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;6-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;4-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2-trifluorobutane-1-sulfonate;3-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2-trifluoropropane-1-sulfonate.
Frequently Asked Questions
What is the IUPAC name of 2-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;6-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;4-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2-trifluorobutane-1-sulfonate;3-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2-trifluoropropane-1-sulfonate?
The IUPAC name of 2-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;6-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;4-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2-trifluorobutane-1-sulfonate;3-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2-trifluoropropane-1-sulfonate (CID 161089072) is 2-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;6-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;4-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2-trifluorobutane-1-sulfonate;3-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2-trifluoropropane-1-sulfonate.
What is the SMILES notation for 2-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;6-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;4-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2-trifluorobutane-1-sulfonate;3-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2-trifluoropropane-1-sulfonate?
The canonical SMILES for 2-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;6-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;4-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2-trifluorobutane-1-sulfonate;3-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2-trifluoropropane-1-sulfonate is O=C(OC1C2CC3C1OS(=O)(=O)C3C2C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])c1ccccc1.O=C(OC1C2CC3C1OS(=O)(=O)C3C2C(=O)OCC(F)(F)S(=O)(=O)[O-])c1ccccc1.O=C(OC1C2CC3C1OS(=O)(=O)C3C2C(=O)OCC(F)C(F)(F)S(=O)(=O)[O-])c1ccccc1.O=C(OC1C2CC3C1OS(=O)(=O)C3C2C(=O)OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])c1ccccc1.O=C(OC1C2CC3C1OS(=O)(=O)C3C2C(=O)OCCC(F)C(F)(F)S(=O)(=O)[O-])c1ccccc1.O=C(OC1C2CC3C1OS(=O)(=O)C3C2C(=O)OCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])c1ccccc1.
What is the InChIKey of 2-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;6-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;4-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2-trifluorobutane-1-sulfonate;3-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2-trifluoropropane-1-sulfonate?
The InChIKey is UGXSYWGYAPXTHY-UHFFFAOYSA-H. The full InChI is InChI=1S/C21H22F4O10S2.C19H18F4O10S2.C19H19F3O10S2.C18H15F5O10S2.C18H17F3O10S2.C17H16F2O10S2/c22-20(23,21(24,25)37(30,31)32)8-4-5-9-33-19(27)14-12-10-13-16(35-36(28,29)17(13)14)15(12)34-18(26)11-6-2-1-3-7-11;20-18(21,19(22,23)35(28,29)30)6-7-31-17(25)12-10-8-11-14(33-34(26,27)15(11)12)13(10)32-16(24)9-4-2-1-3-5-9;20-12(19(21,22)34(27,28)29)6-7-30-18(24)13-10-8-11-15(32-33(25,26)16(11)13)14(10)31-17(23)9-4-2-1-3-5-9;19-17(20,21)16(18(22,23)35(28,29)30)32-15(25)10-8-6-9-12(33-34(26,27)13(9)10)11(8)31-14(24)7-4-2-1-3-5-7;19-11(18(20,21)33(26,27)28)7-29-17(23)12-9-6-10-14(31-32(24,25)15(10)12)13(9)30-16(22)8-4-2-1-3-5-8;18-17(19,31(24,25)26)7-27-16(21)11-9-6-10-13(29-30(22,23)14(10)11)12(9)28-15(20)8-4-2-1-3-5-8/h1-3,6-7,12-17H,4-5,8-10H2,(H,30,31,32);1-5,10-15H,6-8H2,(H,28,29,30);1-5,10-16H,6-8H2,(H,27,28,29);1-5,8-13,16H,6H2,(H,28,29,30);1-5,9-15H,6-7H2,(H,26,27,28);1-5,9-14H,6-7H2,(H,24,25,26)/p-6.
What are the key properties of 2-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;6-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;4-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2-trifluorobutane-1-sulfonate;3-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2-trifluoropropane-1-sulfonate?
2-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;6-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;4-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2-trifluorobutane-1-sulfonate;3-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2-trifluoropropane-1-sulfonate has a molecular weight of 3190.74 g/mol, XLogP of 6.37, 45 rotatable bonds, 0 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;6-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;4-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2-trifluorobutane-1-sulfonate;3-(2-benzoyloxy-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,2-trifluoropropane-1-sulfonate is sourced from PubChem (CID 161089072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).