bis(2-(2,4-dibromophenoxy)-2-oxoethanesulfonate);2-(3,5-dibromophenoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(2,4,6-tribromobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,4,6-tribromobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,4,6-tribromobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-tribromobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-tribromobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-oxo-2-[[3-(2,4,6-tribromobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;2-oxo-2-(2,4,6-tribromophenoxy)ethanesulfonate

C135H98Br27F11O62S10-10 — CID 161043471

IUPACbis(2-(2,4-dibromophenoxy)-2-oxoethanesulfonate);2-(3,5-dibromophenoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(2,4,6-tribromobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,4,6-tribromobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,4,6-tribromobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-tribromobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-tribromobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-oxo-2-[[3-(2,4,6-tribromobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;2-oxo-2-(2,4,6-tribromophenoxy)ethanesulfonate
SMILESO=C(CS(=O)(=O)[O-])Oc1c(Br)cc(Br)cc1Br.O=C(CS(=O)(=O)[O-])Oc1cc(Br)cc(Br)c1.O=C(CS(=O)(=O)[O-])Oc1ccc(Br)cc1Br.O=C(CS(=O)(=O)[O-])Oc1ccc(Br)cc1Br.O=C(OC12CC3CC(C1)CC(OC(=O)C(F)(F)S(=O)(=O)[O-])(C3)C2)c1c(Br)cc(Br)cc1Br.O=C(OC12CC3CC(C1)CC(OC(=O)C(F)S(=O)(=O)[O-])(C3)C2)c1c(Br)cc(Br)cc1Br.O=C(OC1C2CC3CC1CC(C2)C3OC(=O)C(F)(F)S(=O)(=O)[O-])c1c(Br)cc(Br)cc1Br.O=C(OC1CC2CC1CC2OC(=O)C(F)(F)S(=O)(=O)[O-])c1c(Br)cc(Br)cc1Br.O=C(OC1CCC(OC(=O)C(F)(F)S(=O)(=O)[O-])CC1)c1c(Br)cc(Br)cc1Br.O=C(Oc1ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc1)c1c(Br)cc(Br)cc1Br
InChIInChI=1S/2C19H17Br3F2O7S.C19H18Br3FO7S.C16H13Br3F2O7S.C15H13Br3F2O7S.C15H7Br3F2O7S.C8H5Br3O5S.3C8H6Br2O5S/c20-11-2-12(21)14(13(22)3-11)15(25)30-17-4-9-1-10(5-17)7-18(6-9,8-17)31-16(26)19(23,24)32(27,28)29;20-11-5-12(21)14(13(22)6-11)17(25)30-15-7-1-9-3-8(15)4-10(2-7)16(9)31-18(26)19(23,24)32(27,28)29;20-11-2-12(21)14(13(22)3-11)16(24)29-18-4-9-1-10(5-18)7-19(6-9,8-18)30-17(25)15(23)31(26,27)28;17-8-4-9(18)13(10(19)5-8)14(22)27-11-2-7-1-6(11)3-12(7)28-15(23)16(20,21)29(24,25)26;2*16-7-5-10(17)12(11(18)6-7)13(21)26-8-1-3-9(4-2-8)27-14(22)15(19,20)28(23,24)25;9-4-1-5(10)8(6(11)2-4)16-7(12)3-17(13,14)15;9-5-1-6(10)3-7(2-5)15-8(11)4-16(12,13)14;2*9-5-1-2-7(6(10)3-5)15-8(11)4-16(12,13)14/h2-3,9-10H,1,4-8H2,(H,27,28,29);5-10,15-16H,1-4H2,(H,27,28,29);2-3,9-10,15H,1,4-8H2,(H,26,27,28);4-7,11-12H,1-3H2,(H,24,25,26);5-6,8-9H,1-4H2,(H,23,24,25);1-6H,(H,23,24,25);1-2H,3H2,(H,13,14,15);3*1-3H,4H2,(H,12,13,14)/p-10
InChIKeyUBEMDGGUUVUVFO-UHFFFAOYSA-D
MW5399.26 g/mol
LogP33.88
Rot. Bonds42

About bis(2-(2,4-dibromophenoxy)-2-oxoethanesulfonate);2-(3,5-dibromophenoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(2,4,6-tribromobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,4,6-tribromobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,4,6-tribromobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-tribromobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-tribromobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-oxo-2-[[3-(2,4,6-tribromobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;2-oxo-2-(2,4,6-tribromophenoxy)ethanesulfonate

bis(2-(2,4-dibromophenoxy)-2-oxoethanesulfonate);2-(3,5-dibromophenoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(2,4,6-tribromobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,4,6-tribromobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,4,6-tribromobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-tribromobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-tribromobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-oxo-2-[[3-(2,4,6-tribromobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;2-oxo-2-(2,4,6-tribromophenoxy)ethanesulfonate (PubChem CID 161043471) has the molecular formula C135H98Br27F11O62S10-10 and a molecular weight of 5399.26 g/mol. Its IUPAC name is bis(2-(2,4-dibromophenoxy)-2-oxoethanesulfonate);2-(3,5-dibromophenoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(2,4,6-tribromobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,4,6-tribromobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,4,6-tribromobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-tribromobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-tribromobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-oxo-2-[[3-(2,4,6-tribromobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;2-oxo-2-(2,4,6-tribromophenoxy)ethanesulfonate.

Molecular Properties

Compound Namebis(2-(2,4-dibromophenoxy)-2-oxoethanesulfonate);2-(3,5-dibromophenoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(2,4,6-tribromobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,4,6-tribromobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,4,6-tribromobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-tribromobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-tribromobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-oxo-2-[[3-(2,4,6-tribromobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;2-oxo-2-(2,4,6-tribromophenoxy)ethanesulfonate
PubChem CID161043471
Molecular FormulaC135H98Br27F11O62S10-10
Molecular Weight5399.26 g/mol
Exact Mass5369.96
IUPAC Namebis(2-(2,4-dibromophenoxy)-2-oxoethanesulfonate);2-(3,5-dibromophenoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(2,4,6-tribromobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,4,6-tribromobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,4,6-tribromobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-tribromobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-tribromobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-oxo-2-[[3-(2,4,6-tribromobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;2-oxo-2-(2,4,6-tribromophenoxy)ethanesulfonate
SMILESO=C(CS(=O)(=O)[O-])Oc1c(Br)cc(Br)cc1Br.O=C(CS(=O)(=O)[O-])Oc1cc(Br)cc(Br)c1.O=C(CS(=O)(=O)[O-])Oc1ccc(Br)cc1Br.O=C(CS(=O)(=O)[O-])Oc1ccc(Br)cc1Br.O=C(OC12CC3CC(C1)CC(OC(=O)C(F)(F)S(=O)(=O)[O-])(C3)C2)c1c(Br)cc(Br)cc1Br.O=C(OC12CC3CC(C1)CC(OC(=O)C(F)S(=O)(=O)[O-])(C3)C2)c1c(Br)cc(Br)cc1Br.O=C(OC1C2CC3CC1CC(C2)C3OC(=O)C(F)(F)S(=O)(=O)[O-])c1c(Br)cc(Br)cc1Br.O=C(OC1CC2CC1CC2OC(=O)C(F)(F)S(=O)(=O)[O-])c1c(Br)cc(Br)cc1Br.O=C(OC1CCC(OC(=O)C(F)(F)S(=O)(=O)[O-])CC1)c1c(Br)cc(Br)cc1Br.O=C(Oc1ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc1)c1c(Br)cc(Br)cc1Br
InChIInChI=1S/2C19H17Br3F2O7S.C19H18Br3FO7S.C16H13Br3F2O7S.C15H13Br3F2O7S.C15H7Br3F2O7S.C8H5Br3O5S.3C8H6Br2O5S/c20-11-2-12(21)14(13(22)3-11)15(25)30-17-4-9-1-10(5-17)7-18(6-9,8-17)31-16(26)19(23,24)32(27,28)29;20-11-5-12(21)14(13(22)6-11)17(25)30-15-7-1-9-3-8(15)4-10(2-7)16(9)31-18(26)19(23,24)32(27,28)29;20-11-2-12(21)14(13(22)3-11)16(24)29-18-4-9-1-10(5-18)7-19(6-9,8-18)30-17(25)15(23)31(26,27)28;17-8-4-9(18)13(10(19)5-8)14(22)27-11-2-7-1-6(11)3-12(7)28-15(23)16(20,21)29(24,25)26;2*16-7-5-10(17)12(11(18)6-7)13(21)26-8-1-3-9(4-2-8)27-14(22)15(19,20)28(23,24)25;9-4-1-5(10)8(6(11)2-4)16-7(12)3-17(13,14)15;9-5-1-6(10)3-7(2-5)15-8(11)4-16(12,13)14;2*9-5-1-2-7(6(10)3-5)15-8(11)4-16(12,13)14/h2-3,9-10H,1,4-8H2,(H,27,28,29);5-10,15-16H,1-4H2,(H,27,28,29);2-3,9-10,15H,1,4-8H2,(H,26,27,28);4-7,11-12H,1-3H2,(H,24,25,26);5-6,8-9H,1-4H2,(H,23,24,25);1-6H,(H,23,24,25);1-2H,3H2,(H,13,14,15);3*1-3H,4H2,(H,12,13,14)/p-10
InChIKeyUBEMDGGUUVUVFO-UHFFFAOYSA-D
XLogP33.88
TPSA992.80 Ų
H-Bond Donors
H-Bond Acceptors62
Rotatable Bonds42
Heavy Atoms245
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005399.26
LogP ≤ 533.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1062

Analyze bis(2-(2,4-dibromophenoxy)-2-oxoethanesulfonate);2-(3,5-dibromophenoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(2,4,6-tribromobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,4,6-tribromobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,4,6-tribromobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-tribromobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-tribromobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-oxo-2-[[3-(2,4,6-tribromobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;2-oxo-2-(2,4,6-tribromophenoxy)ethanesulfonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2-(2,4-dibromophenoxy)-2-oxoethanesulfonate);2-(3,5-dibromophenoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(2,4,6-tribromobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,4,6-tribromobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,4,6-tribromobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-tribromobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-tribromobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-oxo-2-[[3-(2,4,6-tribromobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;2-oxo-2-(2,4,6-tribromophenoxy)ethanesulfonate?
The IUPAC name of bis(2-(2,4-dibromophenoxy)-2-oxoethanesulfonate);2-(3,5-dibromophenoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(2,4,6-tribromobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,4,6-tribromobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,4,6-tribromobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-tribromobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-tribromobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-oxo-2-[[3-(2,4,6-tribromobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;2-oxo-2-(2,4,6-tribromophenoxy)ethanesulfonate (CID 161043471) is bis(2-(2,4-dibromophenoxy)-2-oxoethanesulfonate);2-(3,5-dibromophenoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(2,4,6-tribromobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,4,6-tribromobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,4,6-tribromobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-tribromobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-tribromobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-oxo-2-[[3-(2,4,6-tribromobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;2-oxo-2-(2,4,6-tribromophenoxy)ethanesulfonate.
What is the SMILES notation for bis(2-(2,4-dibromophenoxy)-2-oxoethanesulfonate);2-(3,5-dibromophenoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(2,4,6-tribromobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,4,6-tribromobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,4,6-tribromobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-tribromobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-tribromobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-oxo-2-[[3-(2,4,6-tribromobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;2-oxo-2-(2,4,6-tribromophenoxy)ethanesulfonate?
The canonical SMILES for bis(2-(2,4-dibromophenoxy)-2-oxoethanesulfonate);2-(3,5-dibromophenoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(2,4,6-tribromobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,4,6-tribromobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,4,6-tribromobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-tribromobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-tribromobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-oxo-2-[[3-(2,4,6-tribromobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;2-oxo-2-(2,4,6-tribromophenoxy)ethanesulfonate is O=C(CS(=O)(=O)[O-])Oc1c(Br)cc(Br)cc1Br.O=C(CS(=O)(=O)[O-])Oc1cc(Br)cc(Br)c1.O=C(CS(=O)(=O)[O-])Oc1ccc(Br)cc1Br.O=C(CS(=O)(=O)[O-])Oc1ccc(Br)cc1Br.O=C(OC12CC3CC(C1)CC(OC(=O)C(F)(F)S(=O)(=O)[O-])(C3)C2)c1c(Br)cc(Br)cc1Br.O=C(OC12CC3CC(C1)CC(OC(=O)C(F)S(=O)(=O)[O-])(C3)C2)c1c(Br)cc(Br)cc1Br.O=C(OC1C2CC3CC1CC(C2)C3OC(=O)C(F)(F)S(=O)(=O)[O-])c1c(Br)cc(Br)cc1Br.O=C(OC1CC2CC1CC2OC(=O)C(F)(F)S(=O)(=O)[O-])c1c(Br)cc(Br)cc1Br.O=C(OC1CCC(OC(=O)C(F)(F)S(=O)(=O)[O-])CC1)c1c(Br)cc(Br)cc1Br.O=C(Oc1ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc1)c1c(Br)cc(Br)cc1Br.
What is the InChIKey of bis(2-(2,4-dibromophenoxy)-2-oxoethanesulfonate);2-(3,5-dibromophenoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(2,4,6-tribromobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,4,6-tribromobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,4,6-tribromobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-tribromobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-tribromobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-oxo-2-[[3-(2,4,6-tribromobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;2-oxo-2-(2,4,6-tribromophenoxy)ethanesulfonate?
The InChIKey is UBEMDGGUUVUVFO-UHFFFAOYSA-D. The full InChI is InChI=1S/2C19H17Br3F2O7S.C19H18Br3FO7S.C16H13Br3F2O7S.C15H13Br3F2O7S.C15H7Br3F2O7S.C8H5Br3O5S.3C8H6Br2O5S/c20-11-2-12(21)14(13(22)3-11)15(25)30-17-4-9-1-10(5-17)7-18(6-9,8-17)31-16(26)19(23,24)32(27,28)29;20-11-5-12(21)14(13(22)6-11)17(25)30-15-7-1-9-3-8(15)4-10(2-7)16(9)31-18(26)19(23,24)32(27,28)29;20-11-2-12(21)14(13(22)3-11)16(24)29-18-4-9-1-10(5-18)7-19(6-9,8-18)30-17(25)15(23)31(26,27)28;17-8-4-9(18)13(10(19)5-8)14(22)27-11-2-7-1-6(11)3-12(7)28-15(23)16(20,21)29(24,25)26;2*16-7-5-10(17)12(11(18)6-7)13(21)26-8-1-3-9(4-2-8)27-14(22)15(19,20)28(23,24)25;9-4-1-5(10)8(6(11)2-4)16-7(12)3-17(13,14)15;9-5-1-6(10)3-7(2-5)15-8(11)4-16(12,13)14;2*9-5-1-2-7(6(10)3-5)15-8(11)4-16(12,13)14/h2-3,9-10H,1,4-8H2,(H,27,28,29);5-10,15-16H,1-4H2,(H,27,28,29);2-3,9-10,15H,1,4-8H2,(H,26,27,28);4-7,11-12H,1-3H2,(H,24,25,26);5-6,8-9H,1-4H2,(H,23,24,25);1-6H,(H,23,24,25);1-2H,3H2,(H,13,14,15);3*1-3H,4H2,(H,12,13,14)/p-10.
What are the key properties of bis(2-(2,4-dibromophenoxy)-2-oxoethanesulfonate);2-(3,5-dibromophenoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(2,4,6-tribromobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,4,6-tribromobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,4,6-tribromobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-tribromobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-tribromobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-oxo-2-[[3-(2,4,6-tribromobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;2-oxo-2-(2,4,6-tribromophenoxy)ethanesulfonate?
bis(2-(2,4-dibromophenoxy)-2-oxoethanesulfonate);2-(3,5-dibromophenoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(2,4,6-tribromobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,4,6-tribromobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,4,6-tribromobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-tribromobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-tribromobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-oxo-2-[[3-(2,4,6-tribromobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;2-oxo-2-(2,4,6-tribromophenoxy)ethanesulfonate has a molecular weight of 5399.26 g/mol, XLogP of 33.88, 42 rotatable bonds, 0 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(2,4-dibromophenoxy)-2-oxoethanesulfonate);2-(3,5-dibromophenoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[[3-(2,4,6-tribromobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[6-(2,4,6-tribromobenzoyl)oxy-2-adamantyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[[5-(2,4,6-tribromobenzoyl)oxy-2-bicyclo[2.2.1]heptanyl]oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-tribromobenzoyl)oxycyclohexyl]oxyethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-tribromobenzoyl)oxyphenoxy]ethanesulfonate;1-fluoro-2-oxo-2-[[3-(2,4,6-tribromobenzoyl)oxy-1-adamantyl]oxy]ethanesulfonate;2-oxo-2-(2,4,6-tribromophenoxy)ethanesulfonate is sourced from PubChem (CID 161043471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).