1-butan-2-yl-4-[2-(2-methylphenyl)-1-phenylmethoxyethoxy]benzene;tetrakis(4-butan-2-ylphenol);6-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;2-[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]adamantane;1-[[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]methyl]adamantane;2-[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]-1,7,7-trimethylbicyclo[2.2.1]heptane;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;bis(triphenylsulfanium)

C263H302O28S6 — CID 157219859

IUPAC1-butan-2-yl-4-[2-(2-methylphenyl)-1-phenylmethoxyethoxy]benzene;tetrakis(4-butan-2-ylphenol);6-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;2-[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]adamantane;1-[[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]methyl]adamantane;2-[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]-1,7,7-trimethylbicyclo[2.2.1]heptane;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;bis(triphenylsulfanium)
SMILESCCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(=O)c2ccccc2S(=O)(=O)[O-])cc1.CCC(C)c1ccc(OC(Cc2ccccc2)OC2C3CC4CC(C3)CC2C4)cc1.CCC(C)c1ccc(OC(Cc2ccccc2)OC2CC3CCC2(C)C3(C)C)cc1.CCC(C)c1ccc(OC(Cc2ccccc2)OCC23CC4CC(CC(C4)C2)C3)cc1.CCC(C)c1ccc(OC(Cc2ccccc2C)OCc2ccccc2)cc1.CCC(C)c1ccc(OCC(=O)Oc2ccc3cc(S(=O)(=O)[O-])ccc3c2)cc1.CCC(C)c1ccc(OCc2ccccc2S(=O)(=O)[O-])cc1.OCCc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H38O2.C28H36O2.C28H38O2.C26H30O2.C22H22O6S.C20H17OS.2C18H15S.C17H18O5S.C17H20O4S.4C10H14O/c1-3-21(2)26-9-11-27(12-10-26)31-28(16-22-7-5-4-6-8-22)30-20-29-17-23-13-24(18-29)15-25(14-23)19-29;1-3-19(2)23-9-11-26(12-10-23)29-27(18-20-7-5-4-6-8-20)30-28-24-14-21-13-22(16-24)17-25(28)15-21;1-6-20(2)22-12-14-24(15-13-22)29-26(18-21-10-8-7-9-11-21)30-25-19-23-16-17-28(25,5)27(23,3)4;1-4-20(2)23-14-16-25(17-15-23)28-26(18-24-13-9-8-10-21(24)3)27-19-22-11-6-5-7-12-22;1-3-15(2)16-4-8-19(9-5-16)27-14-22(23)28-20-10-6-18-13-21(29(24,25)26)11-7-17(18)12-20;21-14-13-15-9-11-16(12-10-15)22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-12(2)13-8-10-14(11-9-13)22-17(18)15-6-4-5-7-16(15)23(19,20)21;1-3-13(2)14-8-10-16(11-9-14)21-12-15-6-4-5-7-17(15)22(18,19)20;4*1-3-8(2)9-4-6-10(11)7-5-9/h4-12,21,23-25,28H,3,13-20H2,1-2H3;4-12,19,21-22,24-25,27-28H,3,13-18H2,1-2H3;7-15,20,23,25-26H,6,16-19H2,1-5H3;5-17,20,26H,4,18-19H2,1-3H3;4-13,15H,3,14H2,1-2H3,(H,24,25,26);1-12,21H,13-14H2;2*1-15H;4-12H,3H2,1-2H3,(H,19,20,21);4-11,13H,3,12H2,1-2H3,(H,18,19,20);4*4-8,11H,3H2,1-2H3/q;;;;;3*+1;;;;;;/p-3
InChIKeyASVVVYPBISVUBQ-UHFFFAOYSA-K
MW4103.68 g/mol
LogP66.12
Rot. Bonds69

About 1-butan-2-yl-4-[2-(2-methylphenyl)-1-phenylmethoxyethoxy]benzene;tetrakis(4-butan-2-ylphenol);6-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;2-[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]adamantane;1-[[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]methyl]adamantane;2-[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]-1,7,7-trimethylbicyclo[2.2.1]heptane;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;bis(triphenylsulfanium)

1-butan-2-yl-4-[2-(2-methylphenyl)-1-phenylmethoxyethoxy]benzene;tetrakis(4-butan-2-ylphenol);6-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;2-[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]adamantane;1-[[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]methyl]adamantane;2-[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]-1,7,7-trimethylbicyclo[2.2.1]heptane;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;bis(triphenylsulfanium) (PubChem CID 157219859) has the molecular formula C263H302O28S6 and a molecular weight of 4103.68 g/mol. Its IUPAC name is 1-butan-2-yl-4-[2-(2-methylphenyl)-1-phenylmethoxyethoxy]benzene;tetrakis(4-butan-2-ylphenol);6-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;2-[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]adamantane;1-[[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]methyl]adamantane;2-[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]-1,7,7-trimethylbicyclo[2.2.1]heptane;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;bis(triphenylsulfanium).

Molecular Properties

Compound Name1-butan-2-yl-4-[2-(2-methylphenyl)-1-phenylmethoxyethoxy]benzene;tetrakis(4-butan-2-ylphenol);6-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;2-[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]adamantane;1-[[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]methyl]adamantane;2-[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]-1,7,7-trimethylbicyclo[2.2.1]heptane;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;bis(triphenylsulfanium)
PubChem CID157219859
Molecular FormulaC263H302O28S6
Molecular Weight4103.68 g/mol
Exact Mass4100.05
IUPAC Name1-butan-2-yl-4-[2-(2-methylphenyl)-1-phenylmethoxyethoxy]benzene;tetrakis(4-butan-2-ylphenol);6-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;2-[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]adamantane;1-[[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]methyl]adamantane;2-[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]-1,7,7-trimethylbicyclo[2.2.1]heptane;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;bis(triphenylsulfanium)
SMILESCCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(=O)c2ccccc2S(=O)(=O)[O-])cc1.CCC(C)c1ccc(OC(Cc2ccccc2)OC2C3CC4CC(C3)CC2C4)cc1.CCC(C)c1ccc(OC(Cc2ccccc2)OC2CC3CCC2(C)C3(C)C)cc1.CCC(C)c1ccc(OC(Cc2ccccc2)OCC23CC4CC(CC(C4)C2)C3)cc1.CCC(C)c1ccc(OC(Cc2ccccc2C)OCc2ccccc2)cc1.CCC(C)c1ccc(OCC(=O)Oc2ccc3cc(S(=O)(=O)[O-])ccc3c2)cc1.CCC(C)c1ccc(OCc2ccccc2S(=O)(=O)[O-])cc1.OCCc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H38O2.C28H36O2.C28H38O2.C26H30O2.C22H22O6S.C20H17OS.2C18H15S.C17H18O5S.C17H20O4S.4C10H14O/c1-3-21(2)26-9-11-27(12-10-26)31-28(16-22-7-5-4-6-8-22)30-20-29-17-23-13-24(18-29)15-25(14-23)19-29;1-3-19(2)23-9-11-26(12-10-23)29-27(18-20-7-5-4-6-8-20)30-28-24-14-21-13-22(16-24)17-25(28)15-21;1-6-20(2)22-12-14-24(15-13-22)29-26(18-21-10-8-7-9-11-21)30-25-19-23-16-17-28(25,5)27(23,3)4;1-4-20(2)23-14-16-25(17-15-23)28-26(18-24-13-9-8-10-21(24)3)27-19-22-11-6-5-7-12-22;1-3-15(2)16-4-8-19(9-5-16)27-14-22(23)28-20-10-6-18-13-21(29(24,25)26)11-7-17(18)12-20;21-14-13-15-9-11-16(12-10-15)22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-12(2)13-8-10-14(11-9-13)22-17(18)15-6-4-5-7-16(15)23(19,20)21;1-3-13(2)14-8-10-16(11-9-14)21-12-15-6-4-5-7-17(15)22(18,19)20;4*1-3-8(2)9-4-6-10(11)7-5-9/h4-12,21,23-25,28H,3,13-20H2,1-2H3;4-12,19,21-22,24-25,27-28H,3,13-18H2,1-2H3;7-15,20,23,25-26H,6,16-19H2,1-5H3;5-17,20,26H,4,18-19H2,1-3H3;4-13,15H,3,14H2,1-2H3,(H,24,25,26);1-12,21H,13-14H2;2*1-15H;4-12H,3H2,1-2H3,(H,19,20,21);4-11,13H,3,12H2,1-2H3,(H,18,19,20);4*4-8,11H,3H2,1-2H3/q;;;;;3*+1;;;;;;/p-3
InChIKeyASVVVYPBISVUBQ-UHFFFAOYSA-K
XLogP66.12
TPSA417.65 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds69
Heavy Atoms297
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004103.68
LogP ≤ 566.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Analyze 1-butan-2-yl-4-[2-(2-methylphenyl)-1-phenylmethoxyethoxy]benzene;tetrakis(4-butan-2-ylphenol);6-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;2-[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]adamantane;1-[[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]methyl]adamantane;2-[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]-1,7,7-trimethylbicyclo[2.2.1]heptane;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;bis(triphenylsulfanium) with MolForge

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Related Compounds

1-(1-Benzhydryloxy-2-methyl-2-phenylpropoxy)-4-butan-2-ylbenzene;bis(4-butan-2-ylphenol);1-[[1-(4-butan-2-ylphenoxy)-2,2-diethylbutoxy]methyl]adamantane;5-[2-(4-butan-2-ylphenoxy)-2-oxoethoxy]naphthalene-1-sulfonate;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;5-(4-cyclohexylphenyl)dibenzothiophen-5-ium;triphenylsulfanium
CID 157128372
1-Butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;6-butan-2-ylnaphthalen-2-ol;bis(4-butan-2-ylphenol);3-[4-(2,2-dimethylbutanoyloxycarbonyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-[4-(2,2-dimethylbutanoyloxysulfonyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;formaldehyde;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;triphenylsulfanium
CID 158116692
1-Butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)oxane;1-(4-butan-2-ylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane;1,2,3,4,5-pentafluoro-6-methylbenzene
CID 160769795
4-Butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;1-[(4-butan-2-ylphenoxy)-methoxymethyl]adamantane;4-[1-(4-butan-2-ylphenoxy)-2-methylpropoxy]tetracyclo[6.2.1.13,6.02,7]dodecane;2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;1,2-dimethyl-1,2-dihydroacenaphthylene;(4-hydroxyphenyl) 2,2-dimethylbutanoate;bis(triphenylsulfanium)
CID 161061211
1-Butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,3-diphenylbenzene;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;3-[4-(2,2-dimethylbutanoyloxycarbonyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;formaldehyde;triphenylsulfanium
CID 162109622
1-Butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;bis(4-butan-2-ylphenol);8-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-1-sulfonate;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;1-[(4-butan-2-ylphenoxy)methyl]naphthalene;1-butan-2-yl-4-phenylmethoxybenzene;1-butan-2-yl-4-[1-[2-(2-phenylphenoxy)ethoxy]ethoxy]benzene;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;triphenylsulfanium
CID 157232584
1-[Butan-2-yloxy-(4-butan-2-ylphenoxy)methyl]tricyclo[5.2.1.02,6]decane;tris(4-butan-2-ylphenol);4-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-[(4-butan-2-ylphenoxy)-(2-phenoxyethoxy)methyl]-3-methyl-1,2-dihydroindene;1-[1-[(4-butan-2-ylphenoxy)-propan-2-yloxymethyl]cyclohexyl]naphthalene;(4-methylphenyl)-diphenylsulfanium
CID 157269030
4-Butan-2-ylphenol;4-[2-(4-butan-2-ylphenoxy)acetyl]oxybenzenesulfonate;1-butan-2-yl-3-[1-(2-phenoxyethoxy)ethoxy]benzene;4-(2-methylbutan-2-yl)phenol;2-[4-(2-methylbutan-2-yl)phenoxy]carbonylbenzenesulfonate;2-[2-[1-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]-1,3-diphenylbenzene;bis(triphenylsulfanium)
CID 157276831
[2-(2-Benzoyloxyethoxy)-2-(4-butan-2-ylphenoxy)ethyl] adamantane-1-carboxylate;tris(4-butan-2-ylphenol);4-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;[2-(4-butan-2-ylphenoxy)-2-ethoxyethyl] adamantane-1-carboxylate;[2-(4-butan-2-ylphenoxy)-2-phenylmethoxyethyl] bicyclo[2.2.1]heptane-2-carboxylate;(4-butan-2-ylphenyl) benzoate;1-naphthalen-1-ylthiolan-1-ium
CID 157426187
4-Butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;1-[2-(4-butan-2-ylphenoxy)-2-phenylmethoxyethoxy]naphthalene;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;tris(3-methoxyphenyl)sulfanium;bromide
CID 157512400
1-Butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;3-butan-2-ylphenol;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-[2-[1-(3-butan-2-ylphenoxy)ethoxy]ethoxy]-1,3-diphenylbenzene;1-[(4-butan-2-ylphenoxy)methyl]naphthalene;(3-butan-2-ylphenyl) 2-(5-methylnaphthalen-1-yl)oxyacetate;triphenylsulfanium
CID 157813100
Bis(4-butan-2-ylbenzenesulfonate);1-butan-2-yl-4-(2,2-dimethyl-1-propan-2-yloxypropoxy)benzene;1-butan-2-yl-3-(1-ethoxy-2,2-dimethylpropoxy)benzene;3-butan-2-ylphenol;2-[1-(4-butan-2-ylphenoxy)-2,2-dimethylpropoxy]bicyclo[2.2.1]heptane;(3-butan-2-ylphenyl) 2-methylbenzoate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;(5-hydroxynaphthalen-1-yl) 2-methylbutanoate;(4-hydroxyphenyl) 2-methylbutanoate;triphenylsulfanium
CID 158069162

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-[2-(2-methylphenyl)-1-phenylmethoxyethoxy]benzene;tetrakis(4-butan-2-ylphenol);6-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;2-[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]adamantane;1-[[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]methyl]adamantane;2-[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]-1,7,7-trimethylbicyclo[2.2.1]heptane;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;bis(triphenylsulfanium)?
The IUPAC name of 1-butan-2-yl-4-[2-(2-methylphenyl)-1-phenylmethoxyethoxy]benzene;tetrakis(4-butan-2-ylphenol);6-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;2-[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]adamantane;1-[[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]methyl]adamantane;2-[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]-1,7,7-trimethylbicyclo[2.2.1]heptane;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;bis(triphenylsulfanium) (CID 157219859) is 1-butan-2-yl-4-[2-(2-methylphenyl)-1-phenylmethoxyethoxy]benzene;tetrakis(4-butan-2-ylphenol);6-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;2-[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]adamantane;1-[[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]methyl]adamantane;2-[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]-1,7,7-trimethylbicyclo[2.2.1]heptane;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;bis(triphenylsulfanium).
What is the SMILES notation for 1-butan-2-yl-4-[2-(2-methylphenyl)-1-phenylmethoxyethoxy]benzene;tetrakis(4-butan-2-ylphenol);6-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;2-[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]adamantane;1-[[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]methyl]adamantane;2-[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]-1,7,7-trimethylbicyclo[2.2.1]heptane;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;bis(triphenylsulfanium)?
The canonical SMILES for 1-butan-2-yl-4-[2-(2-methylphenyl)-1-phenylmethoxyethoxy]benzene;tetrakis(4-butan-2-ylphenol);6-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;2-[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]adamantane;1-[[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]methyl]adamantane;2-[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]-1,7,7-trimethylbicyclo[2.2.1]heptane;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;bis(triphenylsulfanium) is CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(=O)c2ccccc2S(=O)(=O)[O-])cc1.CCC(C)c1ccc(OC(Cc2ccccc2)OC2C3CC4CC(C3)CC2C4)cc1.CCC(C)c1ccc(OC(Cc2ccccc2)OC2CC3CCC2(C)C3(C)C)cc1.CCC(C)c1ccc(OC(Cc2ccccc2)OCC23CC4CC(CC(C4)C2)C3)cc1.CCC(C)c1ccc(OC(Cc2ccccc2C)OCc2ccccc2)cc1.CCC(C)c1ccc(OCC(=O)Oc2ccc3cc(S(=O)(=O)[O-])ccc3c2)cc1.CCC(C)c1ccc(OCc2ccccc2S(=O)(=O)[O-])cc1.OCCc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-butan-2-yl-4-[2-(2-methylphenyl)-1-phenylmethoxyethoxy]benzene;tetrakis(4-butan-2-ylphenol);6-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;2-[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]adamantane;1-[[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]methyl]adamantane;2-[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]-1,7,7-trimethylbicyclo[2.2.1]heptane;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;bis(triphenylsulfanium)?
The InChIKey is ASVVVYPBISVUBQ-UHFFFAOYSA-K. The full InChI is InChI=1S/C29H38O2.C28H36O2.C28H38O2.C26H30O2.C22H22O6S.C20H17OS.2C18H15S.C17H18O5S.C17H20O4S.4C10H14O/c1-3-21(2)26-9-11-27(12-10-26)31-28(16-22-7-5-4-6-8-22)30-20-29-17-23-13-24(18-29)15-25(14-23)19-29;1-3-19(2)23-9-11-26(12-10-23)29-27(18-20-7-5-4-6-8-20)30-28-24-14-21-13-22(16-24)17-25(28)15-21;1-6-20(2)22-12-14-24(15-13-22)29-26(18-21-10-8-7-9-11-21)30-25-19-23-16-17-28(25,5)27(23,3)4;1-4-20(2)23-14-16-25(17-15-23)28-26(18-24-13-9-8-10-21(24)3)27-19-22-11-6-5-7-12-22;1-3-15(2)16-4-8-19(9-5-16)27-14-22(23)28-20-10-6-18-13-21(29(24,25)26)11-7-17(18)12-20;21-14-13-15-9-11-16(12-10-15)22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-12(2)13-8-10-14(11-9-13)22-17(18)15-6-4-5-7-16(15)23(19,20)21;1-3-13(2)14-8-10-16(11-9-14)21-12-15-6-4-5-7-17(15)22(18,19)20;4*1-3-8(2)9-4-6-10(11)7-5-9/h4-12,21,23-25,28H,3,13-20H2,1-2H3;4-12,19,21-22,24-25,27-28H,3,13-18H2,1-2H3;7-15,20,23,25-26H,6,16-19H2,1-5H3;5-17,20,26H,4,18-19H2,1-3H3;4-13,15H,3,14H2,1-2H3,(H,24,25,26);1-12,21H,13-14H2;2*1-15H;4-12H,3H2,1-2H3,(H,19,20,21);4-11,13H,3,12H2,1-2H3,(H,18,19,20);4*4-8,11H,3H2,1-2H3/q;;;;;3*+1;;;;;;/p-3.
What are the key properties of 1-butan-2-yl-4-[2-(2-methylphenyl)-1-phenylmethoxyethoxy]benzene;tetrakis(4-butan-2-ylphenol);6-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;2-[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]adamantane;1-[[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]methyl]adamantane;2-[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]-1,7,7-trimethylbicyclo[2.2.1]heptane;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;bis(triphenylsulfanium)?
1-butan-2-yl-4-[2-(2-methylphenyl)-1-phenylmethoxyethoxy]benzene;tetrakis(4-butan-2-ylphenol);6-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;2-[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]adamantane;1-[[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]methyl]adamantane;2-[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]-1,7,7-trimethylbicyclo[2.2.1]heptane;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;bis(triphenylsulfanium) has a molecular weight of 4103.68 g/mol, XLogP of 66.12, 69 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-[2-(2-methylphenyl)-1-phenylmethoxyethoxy]benzene;tetrakis(4-butan-2-ylphenol);6-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;2-[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]adamantane;1-[[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]methyl]adamantane;2-[1-(4-butan-2-ylphenoxy)-2-phenylethoxy]-1,7,7-trimethylbicyclo[2.2.1]heptane;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;bis(triphenylsulfanium) is sourced from PubChem (CID 157219859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).