About bis(1,1,3,3,3-pentafluoro-2-[5-(3-methyl-2-oxobut-3-enyl)adamantane-2-carbonyl]oxypropane-1-sulfonate);1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxypropane-1-sulfonate;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;tris(10-phenyl-9H-thioxanthen-10-ium)
bis(1,1,3,3,3-pentafluoro-2-[5-(3-methyl-2-oxobut-3-enyl)adamantane-2-carbonyl]oxypropane-1-sulfonate);1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxypropane-1-sulfonate;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;tris(10-phenyl-9H-thioxanthen-10-ium) (PubChem CID 158323234) has the molecular formula C181H163F25O38S10
and a molecular weight of 3741.88 g/mol. Its IUPAC name is bis(1,1,3,3,3-pentafluoro-2-[5-(3-methyl-2-oxobut-3-enyl)adamantane-2-carbonyl]oxypropane-1-sulfonate);1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxypropane-1-sulfonate;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;tris(10-phenyl-9H-thioxanthen-10-ium).
Frequently Asked Questions
What is the IUPAC name of bis(1,1,3,3,3-pentafluoro-2-[5-(3-methyl-2-oxobut-3-enyl)adamantane-2-carbonyl]oxypropane-1-sulfonate);1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxypropane-1-sulfonate;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;tris(10-phenyl-9H-thioxanthen-10-ium)?
The IUPAC name of bis(1,1,3,3,3-pentafluoro-2-[5-(3-methyl-2-oxobut-3-enyl)adamantane-2-carbonyl]oxypropane-1-sulfonate);1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxypropane-1-sulfonate;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;tris(10-phenyl-9H-thioxanthen-10-ium) (CID 158323234) is bis(1,1,3,3,3-pentafluoro-2-[5-(3-methyl-2-oxobut-3-enyl)adamantane-2-carbonyl]oxypropane-1-sulfonate);1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxypropane-1-sulfonate;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;tris(10-phenyl-9H-thioxanthen-10-ium).
What is the SMILES notation for bis(1,1,3,3,3-pentafluoro-2-[5-(3-methyl-2-oxobut-3-enyl)adamantane-2-carbonyl]oxypropane-1-sulfonate);1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxypropane-1-sulfonate;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;tris(10-phenyl-9H-thioxanthen-10-ium)?
The canonical SMILES for bis(1,1,3,3,3-pentafluoro-2-[5-(3-methyl-2-oxobut-3-enyl)adamantane-2-carbonyl]oxypropane-1-sulfonate);1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxypropane-1-sulfonate;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;tris(10-phenyl-9H-thioxanthen-10-ium) is C=C(C)C(=O)CC12CC3CC(C1)C(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C(C3)C2.C=C(C)C(=O)CC12CC3CC(C1)C(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C(C3)C2.C=C(C)C(=O)OC12CC3CC(C1)CC(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])(C3)C2.C=C(C)C(=O)OC1C2CC3C(OC(=O)C31)C2C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].C=C(C)C(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+]2c3ccccc3Cc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Cc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Cc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of bis(1,1,3,3,3-pentafluoro-2-[5-(3-methyl-2-oxobut-3-enyl)adamantane-2-carbonyl]oxypropane-1-sulfonate);1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxypropane-1-sulfonate;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;tris(10-phenyl-9H-thioxanthen-10-ium)?
The InChIKey is GPCGIMMBBOOWQE-UHFFFAOYSA-I. The full InChI is InChI=1S/2C19H23F5O6S.3C19H15S.C18H21F5O7S.C18H13OS.C18H13S.2C16H15F5O9S/c2*1-9(2)13(25)8-17-5-10-3-11(6-17)14(12(4-10)7-17)15(26)30-16(18(20,21)22)19(23,24)31(27,28)29;3*1-2-10-17(11-3-1)20-18-12-6-4-8-15(18)14-16-9-5-7-13-19(16)20;1-9(2)12(24)30-16-6-10-3-11(7-16)5-15(4-10,8-16)14(25)29-13(17(19,20)21)18(22,23)31(26,27)28;1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-4(2)11(22)28-9-6-3-5-7(9)12(23)29-10(5)8(6)13(24)30-14(15(17,18)19)16(20,21)31(25,26)27;1-4(2)11(22)28-9-6-3-5-7(12(23)29-10(5)9)8(6)13(24)30-14(15(17,18)19)16(20,21)31(25,26)27/h2*10-12,14,16H,1,3-8H2,2H3,(H,27,28,29);3*1-13H,14H2;10-11,13H,1,3-8H2,2H3,(H,26,27,28);1-13H;1-13H;2*5-10,14H,1,3H2,2H3,(H,25,26,27)/q;;3*+1;;2*+1;;/p-5.
What are the key properties of bis(1,1,3,3,3-pentafluoro-2-[5-(3-methyl-2-oxobut-3-enyl)adamantane-2-carbonyl]oxypropane-1-sulfonate);1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxypropane-1-sulfonate;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;tris(10-phenyl-9H-thioxanthen-10-ium)?
bis(1,1,3,3,3-pentafluoro-2-[5-(3-methyl-2-oxobut-3-enyl)adamantane-2-carbonyl]oxypropane-1-sulfonate);1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxypropane-1-sulfonate;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;tris(10-phenyl-9H-thioxanthen-10-ium) has a molecular weight of 3741.88 g/mol, XLogP of 36.67, 37 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,3,3,3-pentafluoro-2-[5-(3-methyl-2-oxobut-3-enyl)adamantane-2-carbonyl]oxypropane-1-sulfonate);1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[9-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl]oxypropane-1-sulfonate;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;tris(10-phenyl-9H-thioxanthen-10-ium) is sourced from PubChem (CID 158323234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).