bis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);hexakis(didodecyl(phenacyl)sulfanium);tris(1,2,4,5-tetrafluoro-3-methoxy-6-oxidoperoxysulfanylbenzene);bis(1,2,4,5-tetrafluoro-3-[(2S,5S)-2-methyl-5-propan-2-ylcyclohexyl]oxy-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene;1-(2,3,5,6-tetrafluoro-4-oxidoperoxysulfanylphenoxy)adamantane;1,2,4,5-tetrafluoro-3-oxidoperoxysulfanyl-6-phenylmethoxybenzene

C340H510F32O40S16 — CID 159351671

IUPACbis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);hexakis(didodecyl(phenacyl)sulfanium);tris(1,2,4,5-tetrafluoro-3-methoxy-6-oxidoperoxysulfanylbenzene);bis(1,2,4,5-tetrafluoro-3-[(2S,5S)-2-methyl-5-propan-2-ylcyclohexyl]oxy-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene;1-(2,3,5,6-tetrafluoro-4-oxidoperoxysulfanylphenoxy)adamantane;1,2,4,5-tetrafluoro-3-oxidoperoxysulfanyl-6-phenylmethoxybenzene
SMILESCC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)[C@H]1CC[C@H](C)C(Oc2c(F)c(F)c(SOO[O-])c(F)c2F)C1.CC(C)[C@H]1CC[C@H](C)C(Oc2c(F)c(F)c(SOO[O-])c(F)c2F)C1.CCCCCCCCCCC(CCCCCCCC)COc1c(F)c(F)c(SOO[O-])c(F)c1F.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.COc1c(F)c(F)c(SOO[O-])c(F)c1F.COc1c(F)c(F)c(SOO[O-])c(F)c1F.COc1c(F)c(F)c(SOO[O-])c(F)c1F.[O-]OOSc1c(F)c(F)c(OC23CC4CC(CC(C4)C2)C3)c(F)c1F.[O-]OOSc1c(F)c(F)c(OCc2ccccc2)c(F)c1F
InChIInChI=1S/6C32H57OS.C26H42F4O4S.2C20H29OS.C16H16F4O4S.2C16H20F4O4S.C13H8F4O4S.3C7H4F4O4S/c6*1-3-5-7-9-11-13-15-17-19-24-28-34(30-32(33)31-26-22-21-23-27-31)29-25-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-12-14-16-18-20(17-15-13-10-8-6-4-2)19-32-25-21(27)23(29)26(35-34-33-31)24(30)22(25)28;2*1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;17-10-12(19)15(25-24-23-21)13(20)11(18)14(10)22-16-4-7-1-8(5-16)3-9(2-7)6-16;2*1-7(2)9-5-4-8(3)10(6-9)22-15-11(17)13(19)16(25-24-23-21)14(20)12(15)18;14-8-10(16)13(22-21-20-18)11(17)9(15)12(8)19-6-7-4-2-1-3-5-7;3*1-13-6-2(8)4(10)7(16-15-14-12)5(11)3(6)9/h6*21-23,26-27H,3-20,24-25,28-30H2,1-2H3;20,31H,3-19H2,1-2H3;2*10-13,16H,3-9,14-15H2,1-2H3;7-9,21H,1-6H2;2*7-10,21H,4-6H2,1-3H3;1-5,18H,6H2;3*12H,1H3/q6*+1;;2*+1;;;;;;;/p-8/t;;;;;;;;;;2*8-,9-,10?;;;;/m..........00..../s1
InChIKeyLHKBXANTPIHEBI-KLUWHCPYSA-F
MW6358.79 g/mol
LogP100.89
Rot. Bonds215

About bis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);hexakis(didodecyl(phenacyl)sulfanium);tris(1,2,4,5-tetrafluoro-3-methoxy-6-oxidoperoxysulfanylbenzene);bis(1,2,4,5-tetrafluoro-3-[(2S,5S)-2-methyl-5-propan-2-ylcyclohexyl]oxy-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene;1-(2,3,5,6-tetrafluoro-4-oxidoperoxysulfanylphenoxy)adamantane;1,2,4,5-tetrafluoro-3-oxidoperoxysulfanyl-6-phenylmethoxybenzene

bis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);hexakis(didodecyl(phenacyl)sulfanium);tris(1,2,4,5-tetrafluoro-3-methoxy-6-oxidoperoxysulfanylbenzene);bis(1,2,4,5-tetrafluoro-3-[(2S,5S)-2-methyl-5-propan-2-ylcyclohexyl]oxy-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene;1-(2,3,5,6-tetrafluoro-4-oxidoperoxysulfanylphenoxy)adamantane;1,2,4,5-tetrafluoro-3-oxidoperoxysulfanyl-6-phenylmethoxybenzene (PubChem CID 159351671) has the molecular formula C340H510F32O40S16 and a molecular weight of 6358.79 g/mol. Its IUPAC name is bis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);hexakis(didodecyl(phenacyl)sulfanium);tris(1,2,4,5-tetrafluoro-3-methoxy-6-oxidoperoxysulfanylbenzene);bis(1,2,4,5-tetrafluoro-3-[(2S,5S)-2-methyl-5-propan-2-ylcyclohexyl]oxy-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene;1-(2,3,5,6-tetrafluoro-4-oxidoperoxysulfanylphenoxy)adamantane;1,2,4,5-tetrafluoro-3-oxidoperoxysulfanyl-6-phenylmethoxybenzene.

Molecular Properties

Compound Namebis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);hexakis(didodecyl(phenacyl)sulfanium);tris(1,2,4,5-tetrafluoro-3-methoxy-6-oxidoperoxysulfanylbenzene);bis(1,2,4,5-tetrafluoro-3-[(2S,5S)-2-methyl-5-propan-2-ylcyclohexyl]oxy-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene;1-(2,3,5,6-tetrafluoro-4-oxidoperoxysulfanylphenoxy)adamantane;1,2,4,5-tetrafluoro-3-oxidoperoxysulfanyl-6-phenylmethoxybenzene
PubChem CID159351671
Molecular FormulaC340H510F32O40S16
Molecular Weight6358.79 g/mol
Exact Mass6353.29
IUPAC Namebis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);hexakis(didodecyl(phenacyl)sulfanium);tris(1,2,4,5-tetrafluoro-3-methoxy-6-oxidoperoxysulfanylbenzene);bis(1,2,4,5-tetrafluoro-3-[(2S,5S)-2-methyl-5-propan-2-ylcyclohexyl]oxy-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene;1-(2,3,5,6-tetrafluoro-4-oxidoperoxysulfanylphenoxy)adamantane;1,2,4,5-tetrafluoro-3-oxidoperoxysulfanyl-6-phenylmethoxybenzene
SMILESCC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)[C@H]1CC[C@H](C)C(Oc2c(F)c(F)c(SOO[O-])c(F)c2F)C1.CC(C)[C@H]1CC[C@H](C)C(Oc2c(F)c(F)c(SOO[O-])c(F)c2F)C1.CCCCCCCCCCC(CCCCCCCC)COc1c(F)c(F)c(SOO[O-])c(F)c1F.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.COc1c(F)c(F)c(SOO[O-])c(F)c1F.COc1c(F)c(F)c(SOO[O-])c(F)c1F.COc1c(F)c(F)c(SOO[O-])c(F)c1F.[O-]OOSc1c(F)c(F)c(OC23CC4CC(CC(C4)C2)C3)c(F)c1F.[O-]OOSc1c(F)c(F)c(OCc2ccccc2)c(F)c1F
InChIInChI=1S/6C32H57OS.C26H42F4O4S.2C20H29OS.C16H16F4O4S.2C16H20F4O4S.C13H8F4O4S.3C7H4F4O4S/c6*1-3-5-7-9-11-13-15-17-19-24-28-34(30-32(33)31-26-22-21-23-27-31)29-25-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-12-14-16-18-20(17-15-13-10-8-6-4-2)19-32-25-21(27)23(29)26(35-34-33-31)24(30)22(25)28;2*1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;17-10-12(19)15(25-24-23-21)13(20)11(18)14(10)22-16-4-7-1-8(5-16)3-9(2-7)6-16;2*1-7(2)9-5-4-8(3)10(6-9)22-15-11(17)13(19)16(25-24-23-21)14(20)12(15)18;14-8-10(16)13(22-21-20-18)11(17)9(15)12(8)19-6-7-4-2-1-3-5-7;3*1-13-6-2(8)4(10)7(16-15-14-12)5(11)3(6)9/h6*21-23,26-27H,3-20,24-25,28-30H2,1-2H3;20,31H,3-19H2,1-2H3;2*10-13,16H,3-9,14-15H2,1-2H3;7-9,21H,1-6H2;2*7-10,21H,4-6H2,1-3H3;1-5,18H,6H2;3*12H,1H3/q6*+1;;2*+1;;;;;;;/p-8/t;;;;;;;;;;2*8-,9-,10?;;;;/m..........00..../s1
InChIKeyLHKBXANTPIHEBI-KLUWHCPYSA-F
XLogP100.89
TPSA542.56 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds215
Heavy Atoms428
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006358.79
LogP ≤ 5100.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Analyze bis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);hexakis(didodecyl(phenacyl)sulfanium);tris(1,2,4,5-tetrafluoro-3-methoxy-6-oxidoperoxysulfanylbenzene);bis(1,2,4,5-tetrafluoro-3-[(2S,5S)-2-methyl-5-propan-2-ylcyclohexyl]oxy-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene;1-(2,3,5,6-tetrafluoro-4-oxidoperoxysulfanylphenoxy)adamantane;1,2,4,5-tetrafluoro-3-oxidoperoxysulfanyl-6-phenylmethoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[3-[4-[4-[Dihydroxy-oxo-(oxolan-3-ylmethyl)-lambda6-sulfanyl]phenoxy]-3-[2-(oxolan-3-yl)ethyl]benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone
CID 58769580
Dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;4-dodecoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;phenylsulfanium;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)tetradecane;4-(thiolan-1-ium-1-yl)phenol
CID 158529420
Tetrakis((4-butoxyphenyl)-diphenylsulfanium);bis((4-tert-butylphenyl)sulfanium);bis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);1,2,4,5-tetrafluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-6-oxidoperoxysulfanylbenzene;hexakis(1,2,4,5-tetrafluoro-3-methylsulfanyl-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)-6-oxidoperoxysulfanylbenzene
CID 158928380
1,3-Bis(thiolan-1-ium-1-yl)propan-2-one;(4-butoxyphenyl)-diphenylsulfanium;(4-tert-butylphenyl)-diphenylsulfanium;4-[difluoro(oxidoperoxysulfanyl)methyl]-3,5-dimethylheptan-4-ol;5-[difluoro(oxidoperoxysulfanyl)methyl]nonan-5-ol;5-[difluoro(oxidoperoxysulfanyl)methyl]nonan-5-yl 2,2-dimethylpropanoate;bis(3-[difluoro(oxidoperoxysulfanyl)methyl]pentan-3-ol);2,4-dimethylpentan-3-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis(2-(1,1,2,3,3,3-hexafluoro-2-oxidoperoxysulfanylpropoxy)-2-methylpropane);bis((4-methylphenyl)-diphenylsulfanium);phenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone
CID 159443673
hexakis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);1,2,4,5-tetrafluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxidoperoxysulfanylbenzene;tris(1,2,4,5-tetrafluoro-3-methoxy-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-[(2S,5S)-2-methyl-5-propan-2-ylcyclohexyl]oxy-6-oxidoperoxysulfanylbenzene;1,2,4,5-tetrafluoro-3-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene;1-(2,3,5,6-tetrafluoro-4-oxidoperoxysulfanylphenoxy)adamantane;2,3,5,6-tetrafluoro-4-(trioxidanylsulfanyl)phenolate
CID 157159084
Tetrakis([2-(4-cyclohexylphenyl)-2-oxoethyl]-diphenylsulfanium);bis(dibutyl(phenacyl)sulfanium);bis(didodecyl(phenacyl)sulfanium);1,2,4,5-tetrafluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxidoperoxysulfanylbenzene;tetrakis(1,2,4,5-tetrafluoro-3-methoxy-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene;1-(2,3,5,6-tetrafluoro-4-oxidoperoxysulfanylphenoxy)adamantane;2,3,5,6-tetrafluoro-4-(trioxidanylsulfanyl)phenolate
CID 157434624
Tetrakis((4-carboxyphenyl)-diphenylsulfanium);bis((4-cyclohexylphenyl)-diphenylsulfanium);1,2,4,5-tetrafluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxidoperoxysulfanylbenzene;bis(1,2,4,5-tetrafluoro-3-methoxy-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-methylsulfanyl-6-oxidoperoxysulfanylbenzene;1-(2,3,5,6-tetrafluoro-4-oxidoperoxysulfanylphenoxy)adamantane;2,3,5,6-tetrafluoro-4-(trioxidanylsulfanyl)phenolate
CID 157599271
octakis(1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);1,2,4,5-tetrafluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxidoperoxysulfanylbenzene;tris(1,2,4,5-tetrafluoro-3-methoxy-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-[(2S,5S)-2-methyl-5-propan-2-ylcyclohexyl]oxy-6-oxidoperoxysulfanylbenzene;1,2,4,5-tetrafluoro-3-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene;1-(2,3,5,6-tetrafluoro-4-oxidoperoxysulfanylphenoxy)adamantane;2,3,5,6-tetrafluoro-4-(trioxidanylsulfanyl)phenolate
CID 157778403
4-[2-(3-Butan-2-ylphenoxy)ethoxy]benzenesulfonate;4-[6-(4-butan-2-ylphenoxy)hexoxy]-2,3,5,6-tetrafluorobenzenesulfonate;bis(4-[3-[(4-butan-2-ylphenyl)methoxy]propoxy]benzenesulfonate);(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium)
CID 158220848
4-[2-(3-Butan-2-ylphenoxy)ethoxy]benzenesulfonic acid;4-[6-(4-butan-2-ylphenoxy)hexoxy]-2,3,5,6-tetrafluorobenzenesulfonate;bis(4-[3-[(4-butan-2-ylphenyl)methoxy]propoxy]benzenesulfonate);(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium)
CID 158220849
4-[2-(3-Butan-2-ylphenoxy)ethoxy]benzenesulfonic acid;4-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]benzenesulfonate;4-[6-(4-butan-2-ylphenoxy)hexoxy]-2,3,5,6-tetrafluorobenzenesulfonate;4-[3-[(4-butan-2-ylphenyl)methoxy]propoxy]benzenesulfonate;(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium)
CID 158233629
Bis(4-[(4-butan-2-ylphenyl)methoxy]-2,3,5,6-tetrafluorobenzenesulfonate);diphenyl-[4-(1-phenylethoxycarbonyl)phenyl]sulfanium;[4-(1-ethylcyclohexyl)oxycarbonylphenyl]-diphenylsulfanium
CID 158718768

Frequently Asked Questions

What is the IUPAC name of bis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);hexakis(didodecyl(phenacyl)sulfanium);tris(1,2,4,5-tetrafluoro-3-methoxy-6-oxidoperoxysulfanylbenzene);bis(1,2,4,5-tetrafluoro-3-[(2S,5S)-2-methyl-5-propan-2-ylcyclohexyl]oxy-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene;1-(2,3,5,6-tetrafluoro-4-oxidoperoxysulfanylphenoxy)adamantane;1,2,4,5-tetrafluoro-3-oxidoperoxysulfanyl-6-phenylmethoxybenzene?
The IUPAC name of bis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);hexakis(didodecyl(phenacyl)sulfanium);tris(1,2,4,5-tetrafluoro-3-methoxy-6-oxidoperoxysulfanylbenzene);bis(1,2,4,5-tetrafluoro-3-[(2S,5S)-2-methyl-5-propan-2-ylcyclohexyl]oxy-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene;1-(2,3,5,6-tetrafluoro-4-oxidoperoxysulfanylphenoxy)adamantane;1,2,4,5-tetrafluoro-3-oxidoperoxysulfanyl-6-phenylmethoxybenzene (CID 159351671) is bis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);hexakis(didodecyl(phenacyl)sulfanium);tris(1,2,4,5-tetrafluoro-3-methoxy-6-oxidoperoxysulfanylbenzene);bis(1,2,4,5-tetrafluoro-3-[(2S,5S)-2-methyl-5-propan-2-ylcyclohexyl]oxy-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene;1-(2,3,5,6-tetrafluoro-4-oxidoperoxysulfanylphenoxy)adamantane;1,2,4,5-tetrafluoro-3-oxidoperoxysulfanyl-6-phenylmethoxybenzene.
What is the SMILES notation for bis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);hexakis(didodecyl(phenacyl)sulfanium);tris(1,2,4,5-tetrafluoro-3-methoxy-6-oxidoperoxysulfanylbenzene);bis(1,2,4,5-tetrafluoro-3-[(2S,5S)-2-methyl-5-propan-2-ylcyclohexyl]oxy-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene;1-(2,3,5,6-tetrafluoro-4-oxidoperoxysulfanylphenoxy)adamantane;1,2,4,5-tetrafluoro-3-oxidoperoxysulfanyl-6-phenylmethoxybenzene?
The canonical SMILES for bis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);hexakis(didodecyl(phenacyl)sulfanium);tris(1,2,4,5-tetrafluoro-3-methoxy-6-oxidoperoxysulfanylbenzene);bis(1,2,4,5-tetrafluoro-3-[(2S,5S)-2-methyl-5-propan-2-ylcyclohexyl]oxy-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene;1-(2,3,5,6-tetrafluoro-4-oxidoperoxysulfanylphenoxy)adamantane;1,2,4,5-tetrafluoro-3-oxidoperoxysulfanyl-6-phenylmethoxybenzene is CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)[C@H]1CC[C@H](C)C(Oc2c(F)c(F)c(SOO[O-])c(F)c2F)C1.CC(C)[C@H]1CC[C@H](C)C(Oc2c(F)c(F)c(SOO[O-])c(F)c2F)C1.CCCCCCCCCCC(CCCCCCCC)COc1c(F)c(F)c(SOO[O-])c(F)c1F.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.COc1c(F)c(F)c(SOO[O-])c(F)c1F.COc1c(F)c(F)c(SOO[O-])c(F)c1F.COc1c(F)c(F)c(SOO[O-])c(F)c1F.[O-]OOSc1c(F)c(F)c(OC23CC4CC(CC(C4)C2)C3)c(F)c1F.[O-]OOSc1c(F)c(F)c(OCc2ccccc2)c(F)c1F.
What is the InChIKey of bis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);hexakis(didodecyl(phenacyl)sulfanium);tris(1,2,4,5-tetrafluoro-3-methoxy-6-oxidoperoxysulfanylbenzene);bis(1,2,4,5-tetrafluoro-3-[(2S,5S)-2-methyl-5-propan-2-ylcyclohexyl]oxy-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene;1-(2,3,5,6-tetrafluoro-4-oxidoperoxysulfanylphenoxy)adamantane;1,2,4,5-tetrafluoro-3-oxidoperoxysulfanyl-6-phenylmethoxybenzene?
The InChIKey is LHKBXANTPIHEBI-KLUWHCPYSA-F. The full InChI is InChI=1S/6C32H57OS.C26H42F4O4S.2C20H29OS.C16H16F4O4S.2C16H20F4O4S.C13H8F4O4S.3C7H4F4O4S/c6*1-3-5-7-9-11-13-15-17-19-24-28-34(30-32(33)31-26-22-21-23-27-31)29-25-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-12-14-16-18-20(17-15-13-10-8-6-4-2)19-32-25-21(27)23(29)26(35-34-33-31)24(30)22(25)28;2*1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;17-10-12(19)15(25-24-23-21)13(20)11(18)14(10)22-16-4-7-1-8(5-16)3-9(2-7)6-16;2*1-7(2)9-5-4-8(3)10(6-9)22-15-11(17)13(19)16(25-24-23-21)14(20)12(15)18;14-8-10(16)13(22-21-20-18)11(17)9(15)12(8)19-6-7-4-2-1-3-5-7;3*1-13-6-2(8)4(10)7(16-15-14-12)5(11)3(6)9/h6*21-23,26-27H,3-20,24-25,28-30H2,1-2H3;20,31H,3-19H2,1-2H3;2*10-13,16H,3-9,14-15H2,1-2H3;7-9,21H,1-6H2;2*7-10,21H,4-6H2,1-3H3;1-5,18H,6H2;3*12H,1H3/q6*+1;;2*+1;;;;;;;/p-8/t;;;;;;;;;;2*8-,9-,10?;;;;/m..........00..../s1.
What are the key properties of bis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);hexakis(didodecyl(phenacyl)sulfanium);tris(1,2,4,5-tetrafluoro-3-methoxy-6-oxidoperoxysulfanylbenzene);bis(1,2,4,5-tetrafluoro-3-[(2S,5S)-2-methyl-5-propan-2-ylcyclohexyl]oxy-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene;1-(2,3,5,6-tetrafluoro-4-oxidoperoxysulfanylphenoxy)adamantane;1,2,4,5-tetrafluoro-3-oxidoperoxysulfanyl-6-phenylmethoxybenzene?
bis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);hexakis(didodecyl(phenacyl)sulfanium);tris(1,2,4,5-tetrafluoro-3-methoxy-6-oxidoperoxysulfanylbenzene);bis(1,2,4,5-tetrafluoro-3-[(2S,5S)-2-methyl-5-propan-2-ylcyclohexyl]oxy-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene;1-(2,3,5,6-tetrafluoro-4-oxidoperoxysulfanylphenoxy)adamantane;1,2,4,5-tetrafluoro-3-oxidoperoxysulfanyl-6-phenylmethoxybenzene has a molecular weight of 6358.79 g/mol, XLogP of 100.89, 215 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);hexakis(didodecyl(phenacyl)sulfanium);tris(1,2,4,5-tetrafluoro-3-methoxy-6-oxidoperoxysulfanylbenzene);bis(1,2,4,5-tetrafluoro-3-[(2S,5S)-2-methyl-5-propan-2-ylcyclohexyl]oxy-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene;1-(2,3,5,6-tetrafluoro-4-oxidoperoxysulfanylphenoxy)adamantane;1,2,4,5-tetrafluoro-3-oxidoperoxysulfanyl-6-phenylmethoxybenzene is sourced from PubChem (CID 159351671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).