bis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one);dioctyl(phenacyl)sulfanium;(4-methylphenyl)-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;bis(2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one);tetrakis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);tris((2,3,4,5,6-pentafluorophenyl)boranuide);tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);tris(trifluoromethanesulfonate);tetrafluoride;hexahexafluorophosphate

C289H383B3F84O25P6S19Sb4 — CID 158360002

IUPACbis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one);dioctyl(phenacyl)sulfanium;(4-methylphenyl)-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;bis(2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one);tetrakis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);tris((2,3,4,5,6-pentafluorophenyl)boranuide);tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);tris(trifluoromethanesulfonate);tetrafluoride;hexahexafluorophosphate
SMILESCC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCCCCCC[S+](CCCCCCCC)CC(=O)c1ccccc1.CCCC[S+](CCCC)CC(=O)c1ccccc1.CCCC[S+](CCCC)CC(=O)c1ccccc1.Cc1ccc(C(=O)C([S+]2CCCC2)C(C)(C)C)cc1.Cc1ccc(C(=O)C([S+]2CCCC2)C(C)(C)C)cc1.Cc1ccc(C(=O)C2([S+]3CCCC3)CCCCC2)cc1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[Sb](F)(F)(F)F.F[Sb](F)(F)(F)F.F[Sb](F)(F)(F)F.F[Sb](F)(F)(F)F.O=C(C[S+]1CCCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[F-].[F-].[F-].[F-]
InChIInChI=1S/C32H57OS.C24H41OS.C18H25OS.2C17H25OS.4C16H17OS.2C16H25OS.2C14H19OS.3C12H15OS.3C6H3BF5.3CHF3O3S.6F6P.24FH.4Sb/c1-3-5-7-9-11-13-15-17-19-24-28-34(30-32(33)31-26-22-21-23-27-31)29-25-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-16-20-26(21-17-12-10-8-6-4-2)22-24(25)23-18-14-13-15-19-23;1-15-7-9-16(10-8-15)17(19)18(11-3-2-4-12-18)20-13-5-6-14-20;2*1-13-7-9-14(10-8-13)15(18)16(17(2,3)4)19-11-5-6-12-19;4*17-16(12-18-9-3-4-10-18)15-8-7-13-5-1-2-6-14(13)11-15;2*1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;2*1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12;3*13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;3*7-1-2(8)4(10)6(12)5(11)3(1)9;3*2-1(3,4)8(5,6)7;6*1-7(2,3,4,5)6;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h21-23,26-27H,3-20,24-25,28-30H2,1-2H3;13-15,18-19H,3-12,16-17,20-22H2,1-2H3;7-10H,2-6,11-14H2,1H3;2*7-10,16H,5-6,11-12H2,1-4H3;4*1-2,5-8,11H,3-4,9-10,12H2;2*7-11H,3-6,12-14H2,1-2H3;2*3-5,8-9H,6-7,10-11H2,1-2H3;3*1-3,6-7H,4-5,8-10H2;3*7H3;3*(H,5,6,7);;;;;;;24*1H;;;;/q16*+1;3*-1;;;;6*-1;;;;;;;;;;;;;;;;;;;;;;;;;4*+5/p-27
InChIKeyXXRVZWIFQZMVIZ-UHFFFAOYSA-A
MW7167.64 g/mol
LogP81.18
Rot. Bonds96

About bis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one);dioctyl(phenacyl)sulfanium;(4-methylphenyl)-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;bis(2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one);tetrakis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);tris((2,3,4,5,6-pentafluorophenyl)boranuide);tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);tris(trifluoromethanesulfonate);tetrafluoride;hexahexafluorophosphate

bis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one);dioctyl(phenacyl)sulfanium;(4-methylphenyl)-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;bis(2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one);tetrakis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);tris((2,3,4,5,6-pentafluorophenyl)boranuide);tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);tris(trifluoromethanesulfonate);tetrafluoride;hexahexafluorophosphate (PubChem CID 158360002) has the molecular formula C289H383B3F84O25P6S19Sb4 and a molecular weight of 7167.64 g/mol. Its IUPAC name is bis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one);dioctyl(phenacyl)sulfanium;(4-methylphenyl)-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;bis(2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one);tetrakis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);tris((2,3,4,5,6-pentafluorophenyl)boranuide);tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);tris(trifluoromethanesulfonate);tetrafluoride;hexahexafluorophosphate.

Molecular Properties

Compound Namebis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one);dioctyl(phenacyl)sulfanium;(4-methylphenyl)-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;bis(2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one);tetrakis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);tris((2,3,4,5,6-pentafluorophenyl)boranuide);tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);tris(trifluoromethanesulfonate);tetrafluoride;hexahexafluorophosphate
PubChem CID158360002
Molecular FormulaC289H383B3F84O25P6S19Sb4
Molecular Weight7167.64 g/mol
Exact Mass7159.69
IUPAC Namebis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one);dioctyl(phenacyl)sulfanium;(4-methylphenyl)-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;bis(2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one);tetrakis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);tris((2,3,4,5,6-pentafluorophenyl)boranuide);tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);tris(trifluoromethanesulfonate);tetrafluoride;hexahexafluorophosphate
SMILESCC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCCCCCC[S+](CCCCCCCC)CC(=O)c1ccccc1.CCCC[S+](CCCC)CC(=O)c1ccccc1.CCCC[S+](CCCC)CC(=O)c1ccccc1.Cc1ccc(C(=O)C([S+]2CCCC2)C(C)(C)C)cc1.Cc1ccc(C(=O)C([S+]2CCCC2)C(C)(C)C)cc1.Cc1ccc(C(=O)C2([S+]3CCCC3)CCCCC2)cc1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[Sb](F)(F)(F)F.F[Sb](F)(F)(F)F.F[Sb](F)(F)(F)F.F[Sb](F)(F)(F)F.O=C(C[S+]1CCCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[F-].[F-].[F-].[F-]
InChIInChI=1S/C32H57OS.C24H41OS.C18H25OS.2C17H25OS.4C16H17OS.2C16H25OS.2C14H19OS.3C12H15OS.3C6H3BF5.3CHF3O3S.6F6P.24FH.4Sb/c1-3-5-7-9-11-13-15-17-19-24-28-34(30-32(33)31-26-22-21-23-27-31)29-25-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-16-20-26(21-17-12-10-8-6-4-2)22-24(25)23-18-14-13-15-19-23;1-15-7-9-16(10-8-15)17(19)18(11-3-2-4-12-18)20-13-5-6-14-20;2*1-13-7-9-14(10-8-13)15(18)16(17(2,3)4)19-11-5-6-12-19;4*17-16(12-18-9-3-4-10-18)15-8-7-13-5-1-2-6-14(13)11-15;2*1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;2*1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12;3*13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;3*7-1-2(8)4(10)6(12)5(11)3(1)9;3*2-1(3,4)8(5,6)7;6*1-7(2,3,4,5)6;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h21-23,26-27H,3-20,24-25,28-30H2,1-2H3;13-15,18-19H,3-12,16-17,20-22H2,1-2H3;7-10H,2-6,11-14H2,1H3;2*7-10,16H,5-6,11-12H2,1-4H3;4*1-2,5-8,11H,3-4,9-10,12H2;2*7-11H,3-6,12-14H2,1-2H3;2*3-5,8-9H,6-7,10-11H2,1-2H3;3*1-3,6-7H,4-5,8-10H2;3*7H3;3*(H,5,6,7);;;;;;;24*1H;;;;/q16*+1;3*-1;;;;6*-1;;;;;;;;;;;;;;;;;;;;;;;;;4*+5/p-27
InChIKeyXXRVZWIFQZMVIZ-UHFFFAOYSA-A
XLogP81.18
TPSA444.72 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds96
Heavy Atoms430
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5007167.64
LogP ≤ 581.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze bis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one);dioctyl(phenacyl)sulfanium;(4-methylphenyl)-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;bis(2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one);tetrakis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);tris((2,3,4,5,6-pentafluorophenyl)boranuide);tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);tris(trifluoromethanesulfonate);tetrafluoride;hexahexafluorophosphate with MolForge

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Related Compounds

bis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one);bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);dioctyl(phenacyl)sulfanium;bis(2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one);tetrakis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);tetrakis((2,3,4,5,6-pentafluorophenyl)boranuide);phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);tris(trifluoromethanesulfonate);tetrafluoride;heptahexafluorophosphate
CID 159640471
1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;dioctyl(phenacyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)naphthalen-1-ol
CID 158279523
1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;cyclohexyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;methanesulfonate;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)phenol
CID 159862782
1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;cyclohexyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)phenol;nonaacetate
CID 158254688
bis(2-hydroxyethyl)-phenacylsulfanium;dibutyl(phenacyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;pentakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;1-oxidoperoxysulfanyl-3,5-bis(trifluoromethyl)benzene;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)hexan-1-one;1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;2-(thiolan-1-ium-1-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 158412910
1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;octakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)phenol
CID 159243273
1-naphthalen-2-yl-2-(thiepan-1-ium-1-yl)ethanone
CID 142377238
tetrakis((4-tert-butylphenyl)-diphenylsulfanium);(4-cyclohexylphenyl)-diphenylsulfanium;bis((4-methylphenyl)-diphenylsulfanium);bis(pentafluoro-λ5-stibane);bis((2,3,4,5,6-pentafluorophenyl)boranuide);trifluoromethanesulfonate;difluoride;dihexafluorophosphate
CID 159526387
dihexyl(phenacyl)sulfanium
CID 23522392
bis(4-hydroxyphenyl)-[4-(2-methylbutan-2-yl)phenyl]sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(2,3,4,5,6-pentafluorobenzenesulfonate);2,3,4,5,6-pentafluorobenzenesulfonic acid;1,2,3,4,5-pentafluoro-6-methylbenzene;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,3,5,6-tetrafluoro-4-methylbenzenesulfonate
CID 157493759
hexakis(2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate);4-(4-butoxynaphthalen-1-yl)-1,4-oxathian-4-ium;1-(4-butoxynaphthalen-1-yl)thian-1-ium;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;4-(1,4-oxathian-4-ium-4-yl)naphthalen-1-ol;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;4-(thian-1-ium-1-yl)naphthalen-1-ol
CID 161261633
hexafluoroantimony(1-);1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone
CID 16705545

Frequently Asked Questions

What is the IUPAC name of bis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one);dioctyl(phenacyl)sulfanium;(4-methylphenyl)-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;bis(2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one);tetrakis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);tris((2,3,4,5,6-pentafluorophenyl)boranuide);tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);tris(trifluoromethanesulfonate);tetrafluoride;hexahexafluorophosphate?
The IUPAC name of bis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one);dioctyl(phenacyl)sulfanium;(4-methylphenyl)-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;bis(2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one);tetrakis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);tris((2,3,4,5,6-pentafluorophenyl)boranuide);tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);tris(trifluoromethanesulfonate);tetrafluoride;hexahexafluorophosphate (CID 158360002) is bis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one);dioctyl(phenacyl)sulfanium;(4-methylphenyl)-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;bis(2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one);tetrakis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);tris((2,3,4,5,6-pentafluorophenyl)boranuide);tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);tris(trifluoromethanesulfonate);tetrafluoride;hexahexafluorophosphate.
What is the SMILES notation for bis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one);dioctyl(phenacyl)sulfanium;(4-methylphenyl)-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;bis(2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one);tetrakis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);tris((2,3,4,5,6-pentafluorophenyl)boranuide);tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);tris(trifluoromethanesulfonate);tetrafluoride;hexahexafluorophosphate?
The canonical SMILES for bis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one);dioctyl(phenacyl)sulfanium;(4-methylphenyl)-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;bis(2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one);tetrakis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);tris((2,3,4,5,6-pentafluorophenyl)boranuide);tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);tris(trifluoromethanesulfonate);tetrafluoride;hexahexafluorophosphate is CC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCCCCCC[S+](CCCCCCCC)CC(=O)c1ccccc1.CCCC[S+](CCCC)CC(=O)c1ccccc1.CCCC[S+](CCCC)CC(=O)c1ccccc1.Cc1ccc(C(=O)C([S+]2CCCC2)C(C)(C)C)cc1.Cc1ccc(C(=O)C([S+]2CCCC2)C(C)(C)C)cc1.Cc1ccc(C(=O)C2([S+]3CCCC3)CCCCC2)cc1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[Sb](F)(F)(F)F.F[Sb](F)(F)(F)F.F[Sb](F)(F)(F)F.F[Sb](F)(F)(F)F.O=C(C[S+]1CCCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[F-].[F-].[F-].[F-].
What is the InChIKey of bis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one);dioctyl(phenacyl)sulfanium;(4-methylphenyl)-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;bis(2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one);tetrakis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);tris((2,3,4,5,6-pentafluorophenyl)boranuide);tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);tris(trifluoromethanesulfonate);tetrafluoride;hexahexafluorophosphate?
The InChIKey is XXRVZWIFQZMVIZ-UHFFFAOYSA-A. The full InChI is InChI=1S/C32H57OS.C24H41OS.C18H25OS.2C17H25OS.4C16H17OS.2C16H25OS.2C14H19OS.3C12H15OS.3C6H3BF5.3CHF3O3S.6F6P.24FH.4Sb/c1-3-5-7-9-11-13-15-17-19-24-28-34(30-32(33)31-26-22-21-23-27-31)29-25-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-16-20-26(21-17-12-10-8-6-4-2)22-24(25)23-18-14-13-15-19-23;1-15-7-9-16(10-8-15)17(19)18(11-3-2-4-12-18)20-13-5-6-14-20;2*1-13-7-9-14(10-8-13)15(18)16(17(2,3)4)19-11-5-6-12-19;4*17-16(12-18-9-3-4-10-18)15-8-7-13-5-1-2-6-14(13)11-15;2*1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;2*1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12;3*13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;3*7-1-2(8)4(10)6(12)5(11)3(1)9;3*2-1(3,4)8(5,6)7;6*1-7(2,3,4,5)6;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h21-23,26-27H,3-20,24-25,28-30H2,1-2H3;13-15,18-19H,3-12,16-17,20-22H2,1-2H3;7-10H,2-6,11-14H2,1H3;2*7-10,16H,5-6,11-12H2,1-4H3;4*1-2,5-8,11H,3-4,9-10,12H2;2*7-11H,3-6,12-14H2,1-2H3;2*3-5,8-9H,6-7,10-11H2,1-2H3;3*1-3,6-7H,4-5,8-10H2;3*7H3;3*(H,5,6,7);;;;;;;24*1H;;;;/q16*+1;3*-1;;;;6*-1;;;;;;;;;;;;;;;;;;;;;;;;;4*+5/p-27.
What are the key properties of bis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one);dioctyl(phenacyl)sulfanium;(4-methylphenyl)-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;bis(2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one);tetrakis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);tris((2,3,4,5,6-pentafluorophenyl)boranuide);tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);tris(trifluoromethanesulfonate);tetrafluoride;hexahexafluorophosphate?
bis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one);dioctyl(phenacyl)sulfanium;(4-methylphenyl)-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;bis(2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one);tetrakis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);tris((2,3,4,5,6-pentafluorophenyl)boranuide);tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);tris(trifluoromethanesulfonate);tetrafluoride;hexahexafluorophosphate has a molecular weight of 7167.64 g/mol, XLogP of 81.18, 96 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one);dioctyl(phenacyl)sulfanium;(4-methylphenyl)-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;bis(2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one);tetrakis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);tris((2,3,4,5,6-pentafluorophenyl)boranuide);tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);tris(trifluoromethanesulfonate);tetrafluoride;hexahexafluorophosphate is sourced from PubChem (CID 158360002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).