benzene;butane;4-[(6-butan-2-ylnaphthalen-2-yl)methoxy]benzenesulfonate;3-(4-butan-2-ylphenoxy)-1,1-difluoro-3-oxopropane-1-sulfonate;4-ethoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-(1,1,2,2,3,3-hexafluoro-3-hydroxypropoxy)benzenesulfonate;(3Z)-2-methoxy-6-methyl-5-methylideneocta-1,3-diene;(4-methylphenyl)-diphenylsulfanium;bis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium

C145H139F15O19S8 — CID 158087225

IUPACbenzene;butane;4-[(6-butan-2-ylnaphthalen-2-yl)methoxy]benzenesulfonate;3-(4-butan-2-ylphenoxy)-1,1-difluoro-3-oxopropane-1-sulfonate;4-ethoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-(1,1,2,2,3,3-hexafluoro-3-hydroxypropoxy)benzenesulfonate;(3Z)-2-methoxy-6-methyl-5-methylideneocta-1,3-diene;(4-methylphenyl)-diphenylsulfanium;bis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium
SMILESC=C(/C=C\C(=C)C(C)CC)OC.CCC(C)c1ccc(OC(=O)CC(F)(F)S(=O)(=O)[O-])cc1.CCC(C)c1ccc2cc(COc3ccc(S(=O)(=O)[O-])cc3)ccc2c1.CCCC.CCOc1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.O=S(=O)([O-])c1ccc(OC(F)(F)C(F)(F)C(O)(F)F)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccccc1
InChIInChI=1S/C21H22O4S.C19H17S.C18H12F3S.2C18H15S.C13H16F2O5S.C11H18O.C9H6F6O5S.C8H6F4O4S.C6H6.C4H10/c1-3-15(2)17-6-7-18-12-16(4-5-19(18)13-17)14-25-20-8-10-21(11-9-20)26(22,23)24;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-9(2)10-4-6-11(7-5-10)20-12(16)8-13(14,15)21(17,18)19;1-6-9(2)10(3)7-8-11(4)12-5;10-7(11,8(12,13)16)9(14,15)20-5-1-3-6(4-2-5)21(17,18)19;1-2-16-7-3(9)5(11)8(17(13,14)15)6(12)4(7)10;1-2-4-6-5-3-1;1-3-4-2/h4-13,15H,3,14H2,1-2H3,(H,22,23,24);2-15H,1H3;1-12H;2*1-15H;4-7,9H,3,8H2,1-2H3,(H,17,18,19);7-9H,3-4,6H2,1-2,5H3;1-4,16H,(H,17,18,19);2H2,1H3,(H,13,14,15);1-6H;3-4H2,1-2H3/q;4*+1;;;;;;/p-4/b;;;;;;8-7-;;;;
InChIKeyFNQTURUDWPIDSL-WGOJZHMISA-J
MW2727.19 g/mol
LogP37.45
Rot. Bonds38

About benzene;butane;4-[(6-butan-2-ylnaphthalen-2-yl)methoxy]benzenesulfonate;3-(4-butan-2-ylphenoxy)-1,1-difluoro-3-oxopropane-1-sulfonate;4-ethoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-(1,1,2,2,3,3-hexafluoro-3-hydroxypropoxy)benzenesulfonate;(3Z)-2-methoxy-6-methyl-5-methylideneocta-1,3-diene;(4-methylphenyl)-diphenylsulfanium;bis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium

benzene;butane;4-[(6-butan-2-ylnaphthalen-2-yl)methoxy]benzenesulfonate;3-(4-butan-2-ylphenoxy)-1,1-difluoro-3-oxopropane-1-sulfonate;4-ethoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-(1,1,2,2,3,3-hexafluoro-3-hydroxypropoxy)benzenesulfonate;(3Z)-2-methoxy-6-methyl-5-methylideneocta-1,3-diene;(4-methylphenyl)-diphenylsulfanium;bis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium (PubChem CID 158087225) has the molecular formula C145H139F15O19S8 and a molecular weight of 2727.19 g/mol. Its IUPAC name is benzene;butane;4-[(6-butan-2-ylnaphthalen-2-yl)methoxy]benzenesulfonate;3-(4-butan-2-ylphenoxy)-1,1-difluoro-3-oxopropane-1-sulfonate;4-ethoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-(1,1,2,2,3,3-hexafluoro-3-hydroxypropoxy)benzenesulfonate;(3Z)-2-methoxy-6-methyl-5-methylideneocta-1,3-diene;(4-methylphenyl)-diphenylsulfanium;bis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium.

Molecular Properties

Compound Namebenzene;butane;4-[(6-butan-2-ylnaphthalen-2-yl)methoxy]benzenesulfonate;3-(4-butan-2-ylphenoxy)-1,1-difluoro-3-oxopropane-1-sulfonate;4-ethoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-(1,1,2,2,3,3-hexafluoro-3-hydroxypropoxy)benzenesulfonate;(3Z)-2-methoxy-6-methyl-5-methylideneocta-1,3-diene;(4-methylphenyl)-diphenylsulfanium;bis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium
PubChem CID158087225
Molecular FormulaC145H139F15O19S8
Molecular Weight2727.19 g/mol
Exact Mass2724.74
IUPAC Namebenzene;butane;4-[(6-butan-2-ylnaphthalen-2-yl)methoxy]benzenesulfonate;3-(4-butan-2-ylphenoxy)-1,1-difluoro-3-oxopropane-1-sulfonate;4-ethoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-(1,1,2,2,3,3-hexafluoro-3-hydroxypropoxy)benzenesulfonate;(3Z)-2-methoxy-6-methyl-5-methylideneocta-1,3-diene;(4-methylphenyl)-diphenylsulfanium;bis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium
SMILESC=C(/C=C\C(=C)C(C)CC)OC.CCC(C)c1ccc(OC(=O)CC(F)(F)S(=O)(=O)[O-])cc1.CCC(C)c1ccc2cc(COc3ccc(S(=O)(=O)[O-])cc3)ccc2c1.CCCC.CCOc1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.O=S(=O)([O-])c1ccc(OC(F)(F)C(F)(F)C(O)(F)F)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccccc1
InChIInChI=1S/C21H22O4S.C19H17S.C18H12F3S.2C18H15S.C13H16F2O5S.C11H18O.C9H6F6O5S.C8H6F4O4S.C6H6.C4H10/c1-3-15(2)17-6-7-18-12-16(4-5-19(18)13-17)14-25-20-8-10-21(11-9-20)26(22,23)24;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-9(2)10-4-6-11(7-5-10)20-12(16)8-13(14,15)21(17,18)19;1-6-9(2)10(3)7-8-11(4)12-5;10-7(11,8(12,13)16)9(14,15)20-5-1-3-6(4-2-5)21(17,18)19;1-2-16-7-3(9)5(11)8(17(13,14)15)6(12)4(7)10;1-2-4-6-5-3-1;1-3-4-2/h4-13,15H,3,14H2,1-2H3,(H,22,23,24);2-15H,1H3;1-12H;2*1-15H;4-7,9H,3,8H2,1-2H3,(H,17,18,19);7-9H,3-4,6H2,1-2,5H3;1-4,16H,(H,17,18,19);2H2,1H3,(H,13,14,15);1-6H;3-4H2,1-2H3/q;4*+1;;;;;;/p-4/b;;;;;;8-7-;;;;
InChIKeyFNQTURUDWPIDSL-WGOJZHMISA-J
XLogP37.45
TPSA312.25 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds38
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002727.19
LogP ≤ 537.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze benzene;butane;4-[(6-butan-2-ylnaphthalen-2-yl)methoxy]benzenesulfonate;3-(4-butan-2-ylphenoxy)-1,1-difluoro-3-oxopropane-1-sulfonate;4-ethoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-(1,1,2,2,3,3-hexafluoro-3-hydroxypropoxy)benzenesulfonate;(3Z)-2-methoxy-6-methyl-5-methylideneocta-1,3-diene;(4-methylphenyl)-diphenylsulfanium;bis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium with MolForge

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Related Compounds

{6-Fluoro-3-methyl-4-[4-(4-trifluoromethoxy-benzenesulfonyl)-phenyl]-naphthalen-2-yl}-acetic acid
CID 71712137
4-[5-[4-(3,4-Dimethylphenyl)phenyl]-3-(3,4-disulfophenyl)-2-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-(trifluoromethyl)phenyl]phenyl]-4,6-diphenylphenyl]benzene-1,2-disulfonic acid
CID 117837312
[Bis[3-[(2-methylpropan-2-yl)oxy]phenyl]-[4-(phenanthren-9-ylmethoxy)phenyl]-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 139785749
[Bis[4-(2-ethoxyethoxy)phenyl]-[4-(phenanthren-9-ylmethoxy)phenyl]-lambda4-sulfanyl] trifluoromethanesulfonate
CID 139785758
[4-[1,1,2,2,3,3,4,4,4-Nonafluorobutylsulfonyloxy(diphenyl)-lambda4-sulfanyl]phenyl] 2-phenanthren-9-ylacetate
CID 139785764
[Bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-[4-(phenanthren-9-ylmethoxy)phenyl]-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 139785767
[Bis[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(phenanthren-9-ylmethoxy)phenyl]-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 139785771
[Bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-[4-(phenanthren-9-ylmethoxy)phenyl]-lambda4-sulfanyl] trifluoromethanesulfonate
CID 139785776
Tert-butyl 2-[4-[[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-[4-(phenanthren-9-ylmethoxy)phenyl]-(trifluoromethylsulfonyloxy)-lambda4-sulfanyl]phenoxy]acetate
CID 139785793
[Bis[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(phenanthren-9-ylmethoxy)phenyl]-lambda4-sulfanyl] trifluoromethanesulfonate
CID 139785795
[[4-(Phenanthren-9-ylmethoxy)phenyl]-diphenyl-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 139785802
[4-[Diphenyl(trifluoromethylsulfonyloxy)-lambda4-sulfanyl]phenyl] 2-phenanthren-9-ylacetate
CID 139785804

Frequently Asked Questions

What is the IUPAC name of benzene;butane;4-[(6-butan-2-ylnaphthalen-2-yl)methoxy]benzenesulfonate;3-(4-butan-2-ylphenoxy)-1,1-difluoro-3-oxopropane-1-sulfonate;4-ethoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-(1,1,2,2,3,3-hexafluoro-3-hydroxypropoxy)benzenesulfonate;(3Z)-2-methoxy-6-methyl-5-methylideneocta-1,3-diene;(4-methylphenyl)-diphenylsulfanium;bis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium?
The IUPAC name of benzene;butane;4-[(6-butan-2-ylnaphthalen-2-yl)methoxy]benzenesulfonate;3-(4-butan-2-ylphenoxy)-1,1-difluoro-3-oxopropane-1-sulfonate;4-ethoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-(1,1,2,2,3,3-hexafluoro-3-hydroxypropoxy)benzenesulfonate;(3Z)-2-methoxy-6-methyl-5-methylideneocta-1,3-diene;(4-methylphenyl)-diphenylsulfanium;bis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium (CID 158087225) is benzene;butane;4-[(6-butan-2-ylnaphthalen-2-yl)methoxy]benzenesulfonate;3-(4-butan-2-ylphenoxy)-1,1-difluoro-3-oxopropane-1-sulfonate;4-ethoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-(1,1,2,2,3,3-hexafluoro-3-hydroxypropoxy)benzenesulfonate;(3Z)-2-methoxy-6-methyl-5-methylideneocta-1,3-diene;(4-methylphenyl)-diphenylsulfanium;bis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium.
What is the SMILES notation for benzene;butane;4-[(6-butan-2-ylnaphthalen-2-yl)methoxy]benzenesulfonate;3-(4-butan-2-ylphenoxy)-1,1-difluoro-3-oxopropane-1-sulfonate;4-ethoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-(1,1,2,2,3,3-hexafluoro-3-hydroxypropoxy)benzenesulfonate;(3Z)-2-methoxy-6-methyl-5-methylideneocta-1,3-diene;(4-methylphenyl)-diphenylsulfanium;bis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium?
The canonical SMILES for benzene;butane;4-[(6-butan-2-ylnaphthalen-2-yl)methoxy]benzenesulfonate;3-(4-butan-2-ylphenoxy)-1,1-difluoro-3-oxopropane-1-sulfonate;4-ethoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-(1,1,2,2,3,3-hexafluoro-3-hydroxypropoxy)benzenesulfonate;(3Z)-2-methoxy-6-methyl-5-methylideneocta-1,3-diene;(4-methylphenyl)-diphenylsulfanium;bis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium is C=C(/C=C\C(=C)C(C)CC)OC.CCC(C)c1ccc(OC(=O)CC(F)(F)S(=O)(=O)[O-])cc1.CCC(C)c1ccc2cc(COc3ccc(S(=O)(=O)[O-])cc3)ccc2c1.CCCC.CCOc1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.O=S(=O)([O-])c1ccc(OC(F)(F)C(F)(F)C(O)(F)F)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccccc1.
What is the InChIKey of benzene;butane;4-[(6-butan-2-ylnaphthalen-2-yl)methoxy]benzenesulfonate;3-(4-butan-2-ylphenoxy)-1,1-difluoro-3-oxopropane-1-sulfonate;4-ethoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-(1,1,2,2,3,3-hexafluoro-3-hydroxypropoxy)benzenesulfonate;(3Z)-2-methoxy-6-methyl-5-methylideneocta-1,3-diene;(4-methylphenyl)-diphenylsulfanium;bis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium?
The InChIKey is FNQTURUDWPIDSL-WGOJZHMISA-J. The full InChI is InChI=1S/C21H22O4S.C19H17S.C18H12F3S.2C18H15S.C13H16F2O5S.C11H18O.C9H6F6O5S.C8H6F4O4S.C6H6.C4H10/c1-3-15(2)17-6-7-18-12-16(4-5-19(18)13-17)14-25-20-8-10-21(11-9-20)26(22,23)24;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-9(2)10-4-6-11(7-5-10)20-12(16)8-13(14,15)21(17,18)19;1-6-9(2)10(3)7-8-11(4)12-5;10-7(11,8(12,13)16)9(14,15)20-5-1-3-6(4-2-5)21(17,18)19;1-2-16-7-3(9)5(11)8(17(13,14)15)6(12)4(7)10;1-2-4-6-5-3-1;1-3-4-2/h4-13,15H,3,14H2,1-2H3,(H,22,23,24);2-15H,1H3;1-12H;2*1-15H;4-7,9H,3,8H2,1-2H3,(H,17,18,19);7-9H,3-4,6H2,1-2,5H3;1-4,16H,(H,17,18,19);2H2,1H3,(H,13,14,15);1-6H;3-4H2,1-2H3/q;4*+1;;;;;;/p-4/b;;;;;;8-7-;;;;.
What are the key properties of benzene;butane;4-[(6-butan-2-ylnaphthalen-2-yl)methoxy]benzenesulfonate;3-(4-butan-2-ylphenoxy)-1,1-difluoro-3-oxopropane-1-sulfonate;4-ethoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-(1,1,2,2,3,3-hexafluoro-3-hydroxypropoxy)benzenesulfonate;(3Z)-2-methoxy-6-methyl-5-methylideneocta-1,3-diene;(4-methylphenyl)-diphenylsulfanium;bis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium?
benzene;butane;4-[(6-butan-2-ylnaphthalen-2-yl)methoxy]benzenesulfonate;3-(4-butan-2-ylphenoxy)-1,1-difluoro-3-oxopropane-1-sulfonate;4-ethoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-(1,1,2,2,3,3-hexafluoro-3-hydroxypropoxy)benzenesulfonate;(3Z)-2-methoxy-6-methyl-5-methylideneocta-1,3-diene;(4-methylphenyl)-diphenylsulfanium;bis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium has a molecular weight of 2727.19 g/mol, XLogP of 37.45, 38 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;butane;4-[(6-butan-2-ylnaphthalen-2-yl)methoxy]benzenesulfonate;3-(4-butan-2-ylphenoxy)-1,1-difluoro-3-oxopropane-1-sulfonate;4-ethoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-(1,1,2,2,3,3-hexafluoro-3-hydroxypropoxy)benzenesulfonate;(3Z)-2-methoxy-6-methyl-5-methylideneocta-1,3-diene;(4-methylphenyl)-diphenylsulfanium;bis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium is sourced from PubChem (CID 158087225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).