3,5-bis(trifluoromethyl)benzenesulfonate;7,7-dimethyl-1-(oxidoperoxysulfanylmethyl)bicyclo[2.2.1]heptan-2-one;4-[2-(2-hydroxyethyl)thianthren-5-ium-5-yl]-2,6-dimethylphenol;3-hydroxypropyl 4-(10,10-dioxothianthren-5-ium-5-yl)benzoate;2-oxidoperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene;1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;2-(4-thianthren-5-ium-5-ylphenoxy)ethanol;2-(4-thianthren-5-ium-5-ylphenyl)sulfanylethanol;2-(4-thianthren-5-ium-5-ylphenyl)sulfonylethanol;trifluoromethanesulfonate

C144H132F14O29S17 — CID 157330835

IUPAC3,5-bis(trifluoromethyl)benzenesulfonate;7,7-dimethyl-1-(oxidoperoxysulfanylmethyl)bicyclo[2.2.1]heptan-2-one;4-[2-(2-hydroxyethyl)thianthren-5-ium-5-yl]-2,6-dimethylphenol;3-hydroxypropyl 4-(10,10-dioxothianthren-5-ium-5-yl)benzoate;2-oxidoperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene;1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;2-(4-thianthren-5-ium-5-ylphenoxy)ethanol;2-(4-thianthren-5-ium-5-ylphenyl)sulfanylethanol;2-(4-thianthren-5-ium-5-ylphenyl)sulfonylethanol;trifluoromethanesulfonate
SMILESCC(C)c1cc(C(C)C)c(SOO[O-])c(C(C)C)c1.CC1(C)C2CCC1(CSOO[O-])C(=O)C2.Cc1cc([S+]2c3ccccc3Sc3cc(CCO)ccc32)cc(C)c1O.O=C(OCCCO)c1ccc([S+]2c3ccccc3S(=O)(=O)c3ccccc32)cc1.O=S(=O)(CCO)c1ccc([S+]2c3ccccc3Sc3ccccc32)cc1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])c1cc(C(F)(F)F)cc(C(F)(F)F)c1.OCCOc1ccc([S+]2c3ccccc3Sc3ccccc32)cc1.OCCSc1ccc([S+]2c3ccccc3Sc3ccccc32)cc1.[O-]OOSc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C22H19O5S2.C22H20O2S2.C20H17O3S3.C20H17O2S2.C20H17OS3.C15H24O3S.C10H16O4S.C8H4F6O3S.C6HF5O3S.CHF3O3S/c23-14-5-15-27-22(24)16-10-12-17(13-11-16)28-18-6-1-3-8-20(18)29(25,26)21-9-4-2-7-19(21)28;1-14-11-17(12-15(2)22(14)24)26-20-6-4-3-5-18(20)25-19-13-16(9-10-23)7-8-21(19)26;21-13-14-26(22,23)16-11-9-15(10-12-16)25-19-7-3-1-5-17(19)24-18-6-2-4-8-20(18)25;2*21-13-14-22-15-9-11-16(12-10-15)24-19-7-3-1-5-17(19)23-18-6-2-4-8-20(18)24;1-9(2)12-7-13(10(3)4)15(19-18-17-16)14(8-12)11(5)6;1-9(2)7-3-4-10(9,8(11)5-7)6-15-14-13-12;9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)18(15,16)17;7-1-2(8)4(10)6(15-14-13-12)5(11)3(1)9;2-1(3,4)8(5,6)7/h1-4,6-13,23H,5,14-15H2;3-8,11-13,23H,9-10H2,1-2H3;1-12,21H,13-14H2;2*1-12,21H,13-14H2;7-11,16H,1-6H3;7,12H,3-6H2,1-2H3;1-3H,(H,15,16,17);12H;(H,5,6,7)/q+1;;3*+1;;;;;/p-4
InChIKeyBFGQYBQOZPBPQQ-UHFFFAOYSA-J
MW3137.72 g/mol
LogP32.37
Rot. Bonds34

About 3,5-bis(trifluoromethyl)benzenesulfonate;7,7-dimethyl-1-(oxidoperoxysulfanylmethyl)bicyclo[2.2.1]heptan-2-one;4-[2-(2-hydroxyethyl)thianthren-5-ium-5-yl]-2,6-dimethylphenol;3-hydroxypropyl 4-(10,10-dioxothianthren-5-ium-5-yl)benzoate;2-oxidoperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene;1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;2-(4-thianthren-5-ium-5-ylphenoxy)ethanol;2-(4-thianthren-5-ium-5-ylphenyl)sulfanylethanol;2-(4-thianthren-5-ium-5-ylphenyl)sulfonylethanol;trifluoromethanesulfonate

3,5-bis(trifluoromethyl)benzenesulfonate;7,7-dimethyl-1-(oxidoperoxysulfanylmethyl)bicyclo[2.2.1]heptan-2-one;4-[2-(2-hydroxyethyl)thianthren-5-ium-5-yl]-2,6-dimethylphenol;3-hydroxypropyl 4-(10,10-dioxothianthren-5-ium-5-yl)benzoate;2-oxidoperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene;1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;2-(4-thianthren-5-ium-5-ylphenoxy)ethanol;2-(4-thianthren-5-ium-5-ylphenyl)sulfanylethanol;2-(4-thianthren-5-ium-5-ylphenyl)sulfonylethanol;trifluoromethanesulfonate (PubChem CID 157330835) has the molecular formula C144H132F14O29S17 and a molecular weight of 3137.72 g/mol. Its IUPAC name is 3,5-bis(trifluoromethyl)benzenesulfonate;7,7-dimethyl-1-(oxidoperoxysulfanylmethyl)bicyclo[2.2.1]heptan-2-one;4-[2-(2-hydroxyethyl)thianthren-5-ium-5-yl]-2,6-dimethylphenol;3-hydroxypropyl 4-(10,10-dioxothianthren-5-ium-5-yl)benzoate;2-oxidoperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene;1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;2-(4-thianthren-5-ium-5-ylphenoxy)ethanol;2-(4-thianthren-5-ium-5-ylphenyl)sulfanylethanol;2-(4-thianthren-5-ium-5-ylphenyl)sulfonylethanol;trifluoromethanesulfonate.

Molecular Properties

Compound Name3,5-bis(trifluoromethyl)benzenesulfonate;7,7-dimethyl-1-(oxidoperoxysulfanylmethyl)bicyclo[2.2.1]heptan-2-one;4-[2-(2-hydroxyethyl)thianthren-5-ium-5-yl]-2,6-dimethylphenol;3-hydroxypropyl 4-(10,10-dioxothianthren-5-ium-5-yl)benzoate;2-oxidoperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene;1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;2-(4-thianthren-5-ium-5-ylphenoxy)ethanol;2-(4-thianthren-5-ium-5-ylphenyl)sulfanylethanol;2-(4-thianthren-5-ium-5-ylphenyl)sulfonylethanol;trifluoromethanesulfonate
PubChem CID157330835
Molecular FormulaC144H132F14O29S17
Molecular Weight3137.72 g/mol
Exact Mass3134.39
IUPAC Name3,5-bis(trifluoromethyl)benzenesulfonate;7,7-dimethyl-1-(oxidoperoxysulfanylmethyl)bicyclo[2.2.1]heptan-2-one;4-[2-(2-hydroxyethyl)thianthren-5-ium-5-yl]-2,6-dimethylphenol;3-hydroxypropyl 4-(10,10-dioxothianthren-5-ium-5-yl)benzoate;2-oxidoperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene;1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;2-(4-thianthren-5-ium-5-ylphenoxy)ethanol;2-(4-thianthren-5-ium-5-ylphenyl)sulfanylethanol;2-(4-thianthren-5-ium-5-ylphenyl)sulfonylethanol;trifluoromethanesulfonate
SMILESCC(C)c1cc(C(C)C)c(SOO[O-])c(C(C)C)c1.CC1(C)C2CCC1(CSOO[O-])C(=O)C2.Cc1cc([S+]2c3ccccc3Sc3cc(CCO)ccc32)cc(C)c1O.O=C(OCCCO)c1ccc([S+]2c3ccccc3S(=O)(=O)c3ccccc32)cc1.O=S(=O)(CCO)c1ccc([S+]2c3ccccc3Sc3ccccc32)cc1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])c1cc(C(F)(F)F)cc(C(F)(F)F)c1.OCCOc1ccc([S+]2c3ccccc3Sc3ccccc32)cc1.OCCSc1ccc([S+]2c3ccccc3Sc3ccccc32)cc1.[O-]OOSc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C22H19O5S2.C22H20O2S2.C20H17O3S3.C20H17O2S2.C20H17OS3.C15H24O3S.C10H16O4S.C8H4F6O3S.C6HF5O3S.CHF3O3S/c23-14-5-15-27-22(24)16-10-12-17(13-11-16)28-18-6-1-3-8-20(18)29(25,26)21-9-4-2-7-19(21)28;1-14-11-17(12-15(2)22(14)24)26-20-6-4-3-5-18(20)25-19-13-16(9-10-23)7-8-21(19)26;21-13-14-26(22,23)16-11-9-15(10-12-16)25-19-7-3-1-5-17(19)24-18-6-2-4-8-20(18)25;2*21-13-14-22-15-9-11-16(12-10-15)24-19-7-3-1-5-17(19)23-18-6-2-4-8-20(18)24;1-9(2)12-7-13(10(3)4)15(19-18-17-16)14(8-12)11(5)6;1-9(2)7-3-4-10(9,8(11)5-7)6-15-14-13-12;9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)18(15,16)17;7-1-2(8)4(10)6(15-14-13-12)5(11)3(1)9;2-1(3,4)8(5,6)7/h1-4,6-13,23H,5,14-15H2;3-8,11-13,23H,9-10H2,1-2H3;1-12,21H,13-14H2;2*1-12,21H,13-14H2;7-11,16H,1-6H3;7,12H,3-6H2,1-2H3;1-3H,(H,15,16,17);12H;(H,5,6,7)/q+1;;3*+1;;;;;/p-4
InChIKeyBFGQYBQOZPBPQQ-UHFFFAOYSA-J
XLogP32.37
TPSA481.22 Ų
H-Bond Donors6
H-Bond Acceptors37
Rotatable Bonds34
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003137.72
LogP ≤ 532.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3,5-bis(trifluoromethyl)benzenesulfonate;7,7-dimethyl-1-(oxidoperoxysulfanylmethyl)bicyclo[2.2.1]heptan-2-one;4-[2-(2-hydroxyethyl)thianthren-5-ium-5-yl]-2,6-dimethylphenol;3-hydroxypropyl 4-(10,10-dioxothianthren-5-ium-5-yl)benzoate;2-oxidoperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene;1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;2-(4-thianthren-5-ium-5-ylphenoxy)ethanol;2-(4-thianthren-5-ium-5-ylphenyl)sulfanylethanol;2-(4-thianthren-5-ium-5-ylphenyl)sulfonylethanol;trifluoromethanesulfonate with MolForge

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Related Compounds

2-(2-carboxybenzoyl)oxyethanesulfonate;1-ethyl-7,7-dimethylbicyclo[2.2.1]heptan-2-one;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;tetrakis(tetrabutylazanium);2,4,6-tri(propan-2-yl)benzenesulfonate
CID 157422070
(4-tert-butylphenyl)iodanium;7,7-dimethyl-1-(oxidoperoxysulfanylmethyl)bicyclo[2.2.1]heptan-2-one;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;bis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);oxidoperoxysulfanylbenzene;1-oxidoperoxysulfanyl-3,5-bis(trifluoromethyl)benzene;1-oxidoperoxysulfanyl-2-(trifluoromethyl)benzene;1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;hexakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);2-(thiolan-1-ium-1-yl)-2,3-dihydroinden-1-one;trifluoromethanesulfonate
CID 159448820
(4-tert-butylphenyl)-diphenylsulfanium;1,1-dioxo-1,2-benzothiazol-3-one;diphenyl-(4-phenylsulfanylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;1-ethyl-7,7-dimethylbicyclo[2.2.1]heptan-2-one;4-fluoro-3,5-dimethylbenzenesulfonate;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;methanesulfonate;methyl(diphenyl)sulfanium;naphthalene-1-sulfonate;bis(2,3,4,5,6-pentafluorobenzenesulfonate);5-phenyldibenzothiophen-5-ium;tetradecane-1-sulfonate;hexakis(triphenylsulfanium);tris(2,4,6-tri(propan-2-yl)benzenesulfonate)
CID 159069907
2-acetyl-5-(4-methylphenyl)benzo[b]thioxanthen-5-ium-12-one;10-(4-tert-butylphenyl)thianthren-10-ium 5-oxide;3,7-dimethyl-10-(4-methylphenyl)thianthren-10-ium 5-oxide;methanesulfonate;bis(1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene);bis(2-methoxyperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene);13-(4-methoxyphenyl)-13-thioniapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaen-2-one;10-phenylthianthren-10-ium 5-oxide
CID 158077609
(4-butoxyphenyl)-diphenylsulfanium;(4-tert-butylphenyl)-diphenylsulfanium;bis((4-tert-butylphenyl)iodanium);ethane;1-(methoxyperoxysulfanylmethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 160589401
2-acetyloxyethanesulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoropropane-1-sulfonate;adamantane-1-sulfonate;2-benzoyloxyethanesulfonate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;2-(7,7-dimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2-(2,2-dimethylpropanoyloxy)ethanesulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;ethanesulfonate;2-hydroxyethanesulfonate;3-hydroxypropane-1-sulfonate;methanesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;3,3,3-trifluoro-2-hydroxy-2-methylpropane-1-sulfonate;2-[2,4,6-tri(propan-2-yl)benzoyl]oxyethanesulfonate
CID 163564132
2-[2-(adamantane-1-carbonyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;(4-methylphenyl)-diphenylsulfanium;triphenylsulfanium
CID 161186188
[dimethyl-[(4-propan-2-ylphenyl)methyl]-λ4-sulfanyl] (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate
CID 139975009
(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;diphenyl-(2,4,6-trihexylphenyl)sulfanium
CID 157333387
[(Z)-[cyano-[4-(hydroxymethyl)phenyl]methylidene]amino] (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;[(Z)-[cyano-[4-(hydroxymethyl)phenyl]methylidene]amino] methanesulfonate;[(Z)-[cyano-[4-(hydroxymethyl)phenyl]methylidene]amino] 4-methylbenzenesulfonate;[[(3E)-3-[cyano-(2-methylphenyl)methylidene]thiophen-2-ylidene]amino] benzenesulfonate;[[(3E)-3-[cyano-(2-methylphenyl)methylidene]thiophen-2-ylidene]amino] (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;[[(3E)-3-[cyano-(2-methylphenyl)methylidene]thiophen-2-ylidene]amino] 4-methylbenzenesulfonate;[[(3E)-3-[cyano-(2-methylphenyl)methylidene]thiophen-2-ylidene]amino] propane-1-sulfonate;[methyl(naphthalene-2-carbonyl)amino] methanesulfonate
CID 172985457
bis((7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate);(4-hydroxyphenyl)-dimethylsulfanium;(4-methoxycarbonyloxyphenyl)-dimethylsulfanium
CID 172852653
4-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxybenzenesulfonate;4-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-2,6-di(propan-2-yl)benzenesulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyethanesulfonate;6-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxynaphthalene-2-sulfonate;3-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;4-(4-cyclohexylbenzoyl)oxy-5-methyl-2-propan-2-ylbenzenesulfonate
CID 160540708

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(trifluoromethyl)benzenesulfonate;7,7-dimethyl-1-(oxidoperoxysulfanylmethyl)bicyclo[2.2.1]heptan-2-one;4-[2-(2-hydroxyethyl)thianthren-5-ium-5-yl]-2,6-dimethylphenol;3-hydroxypropyl 4-(10,10-dioxothianthren-5-ium-5-yl)benzoate;2-oxidoperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene;1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;2-(4-thianthren-5-ium-5-ylphenoxy)ethanol;2-(4-thianthren-5-ium-5-ylphenyl)sulfanylethanol;2-(4-thianthren-5-ium-5-ylphenyl)sulfonylethanol;trifluoromethanesulfonate?
The IUPAC name of 3,5-bis(trifluoromethyl)benzenesulfonate;7,7-dimethyl-1-(oxidoperoxysulfanylmethyl)bicyclo[2.2.1]heptan-2-one;4-[2-(2-hydroxyethyl)thianthren-5-ium-5-yl]-2,6-dimethylphenol;3-hydroxypropyl 4-(10,10-dioxothianthren-5-ium-5-yl)benzoate;2-oxidoperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene;1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;2-(4-thianthren-5-ium-5-ylphenoxy)ethanol;2-(4-thianthren-5-ium-5-ylphenyl)sulfanylethanol;2-(4-thianthren-5-ium-5-ylphenyl)sulfonylethanol;trifluoromethanesulfonate (CID 157330835) is 3,5-bis(trifluoromethyl)benzenesulfonate;7,7-dimethyl-1-(oxidoperoxysulfanylmethyl)bicyclo[2.2.1]heptan-2-one;4-[2-(2-hydroxyethyl)thianthren-5-ium-5-yl]-2,6-dimethylphenol;3-hydroxypropyl 4-(10,10-dioxothianthren-5-ium-5-yl)benzoate;2-oxidoperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene;1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;2-(4-thianthren-5-ium-5-ylphenoxy)ethanol;2-(4-thianthren-5-ium-5-ylphenyl)sulfanylethanol;2-(4-thianthren-5-ium-5-ylphenyl)sulfonylethanol;trifluoromethanesulfonate.
What is the SMILES notation for 3,5-bis(trifluoromethyl)benzenesulfonate;7,7-dimethyl-1-(oxidoperoxysulfanylmethyl)bicyclo[2.2.1]heptan-2-one;4-[2-(2-hydroxyethyl)thianthren-5-ium-5-yl]-2,6-dimethylphenol;3-hydroxypropyl 4-(10,10-dioxothianthren-5-ium-5-yl)benzoate;2-oxidoperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene;1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;2-(4-thianthren-5-ium-5-ylphenoxy)ethanol;2-(4-thianthren-5-ium-5-ylphenyl)sulfanylethanol;2-(4-thianthren-5-ium-5-ylphenyl)sulfonylethanol;trifluoromethanesulfonate?
The canonical SMILES for 3,5-bis(trifluoromethyl)benzenesulfonate;7,7-dimethyl-1-(oxidoperoxysulfanylmethyl)bicyclo[2.2.1]heptan-2-one;4-[2-(2-hydroxyethyl)thianthren-5-ium-5-yl]-2,6-dimethylphenol;3-hydroxypropyl 4-(10,10-dioxothianthren-5-ium-5-yl)benzoate;2-oxidoperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene;1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;2-(4-thianthren-5-ium-5-ylphenoxy)ethanol;2-(4-thianthren-5-ium-5-ylphenyl)sulfanylethanol;2-(4-thianthren-5-ium-5-ylphenyl)sulfonylethanol;trifluoromethanesulfonate is CC(C)c1cc(C(C)C)c(SOO[O-])c(C(C)C)c1.CC1(C)C2CCC1(CSOO[O-])C(=O)C2.Cc1cc([S+]2c3ccccc3Sc3cc(CCO)ccc32)cc(C)c1O.O=C(OCCCO)c1ccc([S+]2c3ccccc3S(=O)(=O)c3ccccc32)cc1.O=S(=O)(CCO)c1ccc([S+]2c3ccccc3Sc3ccccc32)cc1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])c1cc(C(F)(F)F)cc(C(F)(F)F)c1.OCCOc1ccc([S+]2c3ccccc3Sc3ccccc32)cc1.OCCSc1ccc([S+]2c3ccccc3Sc3ccccc32)cc1.[O-]OOSc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 3,5-bis(trifluoromethyl)benzenesulfonate;7,7-dimethyl-1-(oxidoperoxysulfanylmethyl)bicyclo[2.2.1]heptan-2-one;4-[2-(2-hydroxyethyl)thianthren-5-ium-5-yl]-2,6-dimethylphenol;3-hydroxypropyl 4-(10,10-dioxothianthren-5-ium-5-yl)benzoate;2-oxidoperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene;1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;2-(4-thianthren-5-ium-5-ylphenoxy)ethanol;2-(4-thianthren-5-ium-5-ylphenyl)sulfanylethanol;2-(4-thianthren-5-ium-5-ylphenyl)sulfonylethanol;trifluoromethanesulfonate?
The InChIKey is BFGQYBQOZPBPQQ-UHFFFAOYSA-J. The full InChI is InChI=1S/C22H19O5S2.C22H20O2S2.C20H17O3S3.C20H17O2S2.C20H17OS3.C15H24O3S.C10H16O4S.C8H4F6O3S.C6HF5O3S.CHF3O3S/c23-14-5-15-27-22(24)16-10-12-17(13-11-16)28-18-6-1-3-8-20(18)29(25,26)21-9-4-2-7-19(21)28;1-14-11-17(12-15(2)22(14)24)26-20-6-4-3-5-18(20)25-19-13-16(9-10-23)7-8-21(19)26;21-13-14-26(22,23)16-11-9-15(10-12-16)25-19-7-3-1-5-17(19)24-18-6-2-4-8-20(18)25;2*21-13-14-22-15-9-11-16(12-10-15)24-19-7-3-1-5-17(19)23-18-6-2-4-8-20(18)24;1-9(2)12-7-13(10(3)4)15(19-18-17-16)14(8-12)11(5)6;1-9(2)7-3-4-10(9,8(11)5-7)6-15-14-13-12;9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)18(15,16)17;7-1-2(8)4(10)6(15-14-13-12)5(11)3(1)9;2-1(3,4)8(5,6)7/h1-4,6-13,23H,5,14-15H2;3-8,11-13,23H,9-10H2,1-2H3;1-12,21H,13-14H2;2*1-12,21H,13-14H2;7-11,16H,1-6H3;7,12H,3-6H2,1-2H3;1-3H,(H,15,16,17);12H;(H,5,6,7)/q+1;;3*+1;;;;;/p-4.
What are the key properties of 3,5-bis(trifluoromethyl)benzenesulfonate;7,7-dimethyl-1-(oxidoperoxysulfanylmethyl)bicyclo[2.2.1]heptan-2-one;4-[2-(2-hydroxyethyl)thianthren-5-ium-5-yl]-2,6-dimethylphenol;3-hydroxypropyl 4-(10,10-dioxothianthren-5-ium-5-yl)benzoate;2-oxidoperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene;1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;2-(4-thianthren-5-ium-5-ylphenoxy)ethanol;2-(4-thianthren-5-ium-5-ylphenyl)sulfanylethanol;2-(4-thianthren-5-ium-5-ylphenyl)sulfonylethanol;trifluoromethanesulfonate?
3,5-bis(trifluoromethyl)benzenesulfonate;7,7-dimethyl-1-(oxidoperoxysulfanylmethyl)bicyclo[2.2.1]heptan-2-one;4-[2-(2-hydroxyethyl)thianthren-5-ium-5-yl]-2,6-dimethylphenol;3-hydroxypropyl 4-(10,10-dioxothianthren-5-ium-5-yl)benzoate;2-oxidoperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene;1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;2-(4-thianthren-5-ium-5-ylphenoxy)ethanol;2-(4-thianthren-5-ium-5-ylphenyl)sulfanylethanol;2-(4-thianthren-5-ium-5-ylphenyl)sulfonylethanol;trifluoromethanesulfonate has a molecular weight of 3137.72 g/mol, XLogP of 32.37, 34 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(trifluoromethyl)benzenesulfonate;7,7-dimethyl-1-(oxidoperoxysulfanylmethyl)bicyclo[2.2.1]heptan-2-one;4-[2-(2-hydroxyethyl)thianthren-5-ium-5-yl]-2,6-dimethylphenol;3-hydroxypropyl 4-(10,10-dioxothianthren-5-ium-5-yl)benzoate;2-oxidoperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene;1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;2-(4-thianthren-5-ium-5-ylphenoxy)ethanol;2-(4-thianthren-5-ium-5-ylphenyl)sulfanylethanol;2-(4-thianthren-5-ium-5-ylphenyl)sulfonylethanol;trifluoromethanesulfonate is sourced from PubChem (CID 157330835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).