2-(4-dibenzothiophen-5-ium-5-ylphenoxy)ethyl 2-iodopropanoate;2-(4-dibenzothiophen-5-ium-5-ylphenoxy)propyl 2-iodopropanoate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)propyl 2-iodopropanoate;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxy]phenyl]-diphenylsulfanium;[4-[1-(2-iodo-2-methylpropanoyl)oxypropan-2-yloxy]phenyl]-diphenylsulfanium;[4-[3-(2-iodo-2-methylpropanoyl)oxypropoxy]phenyl]-diphenylsulfanium;[4-[2-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]ethoxy]phenyl]-diphenylsulfanium;[4-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]phenyl]-diphenylsulfanium;[4-[3-[2-(2-iodopropanoyloxy)ethoxy]-3-oxopropoxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)ethoxy]phenyl]-diphenylsulfanium

C246H244I10O35S10+10 — CID 160555544

IUPAC2-(4-dibenzothiophen-5-ium-5-ylphenoxy)ethyl 2-iodopropanoate;2-(4-dibenzothiophen-5-ium-5-ylphenoxy)propyl 2-iodopropanoate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)propyl 2-iodopropanoate;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxy]phenyl]-diphenylsulfanium;[4-[1-(2-iodo-2-methylpropanoyl)oxypropan-2-yloxy]phenyl]-diphenylsulfanium;[4-[3-(2-iodo-2-methylpropanoyl)oxypropoxy]phenyl]-diphenylsulfanium;[4-[2-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]ethoxy]phenyl]-diphenylsulfanium;[4-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]phenyl]-diphenylsulfanium;[4-[3-[2-(2-iodopropanoyloxy)ethoxy]-3-oxopropoxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)ethoxy]phenyl]-diphenylsulfanium
SMILESCC(C)(I)C(=O)OCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(I)C(=O)OCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(COC(=O)C(C)(C)I)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(COC(=O)C(C)I)Oc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.CC(I)C(=O)OCCCOc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.CC(I)C(=O)OCCOC(=O)CCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(I)C(=O)OCCOCCOCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(I)C(=O)OCCOCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(I)C(=O)OCCOc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.CC(I)C(=O)OCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H30IO5S.C26H26IO5S.C25H26IO4S.2C25H26IO3S.2C24H22IO3S.C24H24IO3S.C23H20IO3S.C23H22IO3S/c1-22(28)27(29)33-21-19-31-17-16-30-18-20-32-23-12-14-26(15-13-23)34(24-8-4-2-5-9-24)25-10-6-3-7-11-25;1-20(27)26(29)32-19-18-31-25(28)16-17-30-21-12-14-24(15-13-21)33(22-8-4-2-5-9-22)23-10-6-3-7-11-23;1-20(26)25(27)30-19-17-28-16-18-29-21-12-14-24(15-13-21)31(22-8-4-2-5-9-22)23-10-6-3-7-11-23;1-19(18-28-24(27)25(2,3)26)29-20-14-16-23(17-15-20)30(21-10-6-4-7-11-21)22-12-8-5-9-13-22;1-25(2,26)24(27)29-19-9-18-28-20-14-16-23(17-15-20)30(21-10-5-3-6-11-21)22-12-7-4-8-13-22;1-16(15-27-24(26)17(2)25)28-18-11-13-19(14-12-18)29-22-9-5-3-7-20(22)21-8-4-6-10-23(21)29;1-17(25)24(26)28-16-6-15-27-18-11-13-19(14-12-18)29-22-9-4-2-7-20(22)21-8-3-5-10-23(21)29;1-24(2,25)23(26)28-18-17-27-19-13-15-22(16-14-19)29(20-9-5-3-6-10-20)21-11-7-4-8-12-21;1-16(24)23(25)27-15-14-26-17-10-12-18(13-11-17)28-21-8-4-2-6-19(21)20-7-3-5-9-22(20)28;1-18(24)23(25)27-17-16-26-19-12-14-22(15-13-19)28(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22H,16-21H2,1H3;2-15,20H,16-19H2,1H3;2-15,20H,16-19H2,1H3;4-17,19H,18H2,1-3H3;3-8,10-17H,9,18-19H2,1-2H3;3-14,16-17H,15H2,1-2H3;2-5,7-14,17H,6,15-16H2,1H3;3-16H,17-18H2,1-2H3;2-13,16H,14-15H2,1H3;2-15,18H,16-17H2,1H3/q10*+1
InChIKeyQYQDODSVDUQJGA-UHFFFAOYSA-N
MW5350.33 g/mol
LogP60.83
Rot. Bonds88

About 2-(4-dibenzothiophen-5-ium-5-ylphenoxy)ethyl 2-iodopropanoate;2-(4-dibenzothiophen-5-ium-5-ylphenoxy)propyl 2-iodopropanoate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)propyl 2-iodopropanoate;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxy]phenyl]-diphenylsulfanium;[4-[1-(2-iodo-2-methylpropanoyl)oxypropan-2-yloxy]phenyl]-diphenylsulfanium;[4-[3-(2-iodo-2-methylpropanoyl)oxypropoxy]phenyl]-diphenylsulfanium;[4-[2-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]ethoxy]phenyl]-diphenylsulfanium;[4-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]phenyl]-diphenylsulfanium;[4-[3-[2-(2-iodopropanoyloxy)ethoxy]-3-oxopropoxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)ethoxy]phenyl]-diphenylsulfanium

2-(4-dibenzothiophen-5-ium-5-ylphenoxy)ethyl 2-iodopropanoate;2-(4-dibenzothiophen-5-ium-5-ylphenoxy)propyl 2-iodopropanoate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)propyl 2-iodopropanoate;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxy]phenyl]-diphenylsulfanium;[4-[1-(2-iodo-2-methylpropanoyl)oxypropan-2-yloxy]phenyl]-diphenylsulfanium;[4-[3-(2-iodo-2-methylpropanoyl)oxypropoxy]phenyl]-diphenylsulfanium;[4-[2-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]ethoxy]phenyl]-diphenylsulfanium;[4-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]phenyl]-diphenylsulfanium;[4-[3-[2-(2-iodopropanoyloxy)ethoxy]-3-oxopropoxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)ethoxy]phenyl]-diphenylsulfanium (PubChem CID 160555544) has the molecular formula C246H244I10O35S10+10 and a molecular weight of 5350.33 g/mol. Its IUPAC name is 2-(4-dibenzothiophen-5-ium-5-ylphenoxy)ethyl 2-iodopropanoate;2-(4-dibenzothiophen-5-ium-5-ylphenoxy)propyl 2-iodopropanoate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)propyl 2-iodopropanoate;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxy]phenyl]-diphenylsulfanium;[4-[1-(2-iodo-2-methylpropanoyl)oxypropan-2-yloxy]phenyl]-diphenylsulfanium;[4-[3-(2-iodo-2-methylpropanoyl)oxypropoxy]phenyl]-diphenylsulfanium;[4-[2-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]ethoxy]phenyl]-diphenylsulfanium;[4-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]phenyl]-diphenylsulfanium;[4-[3-[2-(2-iodopropanoyloxy)ethoxy]-3-oxopropoxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)ethoxy]phenyl]-diphenylsulfanium.

Molecular Properties

Compound Name2-(4-dibenzothiophen-5-ium-5-ylphenoxy)ethyl 2-iodopropanoate;2-(4-dibenzothiophen-5-ium-5-ylphenoxy)propyl 2-iodopropanoate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)propyl 2-iodopropanoate;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxy]phenyl]-diphenylsulfanium;[4-[1-(2-iodo-2-methylpropanoyl)oxypropan-2-yloxy]phenyl]-diphenylsulfanium;[4-[3-(2-iodo-2-methylpropanoyl)oxypropoxy]phenyl]-diphenylsulfanium;[4-[2-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]ethoxy]phenyl]-diphenylsulfanium;[4-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]phenyl]-diphenylsulfanium;[4-[3-[2-(2-iodopropanoyloxy)ethoxy]-3-oxopropoxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)ethoxy]phenyl]-diphenylsulfanium
PubChem CID160555544
Molecular FormulaC246H244I10O35S10+10
Molecular Weight5350.33 g/mol
Exact Mass5346.49
IUPAC Name2-(4-dibenzothiophen-5-ium-5-ylphenoxy)ethyl 2-iodopropanoate;2-(4-dibenzothiophen-5-ium-5-ylphenoxy)propyl 2-iodopropanoate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)propyl 2-iodopropanoate;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxy]phenyl]-diphenylsulfanium;[4-[1-(2-iodo-2-methylpropanoyl)oxypropan-2-yloxy]phenyl]-diphenylsulfanium;[4-[3-(2-iodo-2-methylpropanoyl)oxypropoxy]phenyl]-diphenylsulfanium;[4-[2-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]ethoxy]phenyl]-diphenylsulfanium;[4-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]phenyl]-diphenylsulfanium;[4-[3-[2-(2-iodopropanoyloxy)ethoxy]-3-oxopropoxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)ethoxy]phenyl]-diphenylsulfanium
SMILESCC(C)(I)C(=O)OCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(I)C(=O)OCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(COC(=O)C(C)(C)I)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(COC(=O)C(C)I)Oc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.CC(I)C(=O)OCCCOc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.CC(I)C(=O)OCCOC(=O)CCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(I)C(=O)OCCOCCOCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(I)C(=O)OCCOCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(I)C(=O)OCCOc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.CC(I)C(=O)OCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H30IO5S.C26H26IO5S.C25H26IO4S.2C25H26IO3S.2C24H22IO3S.C24H24IO3S.C23H20IO3S.C23H22IO3S/c1-22(28)27(29)33-21-19-31-17-16-30-18-20-32-23-12-14-26(15-13-23)34(24-8-4-2-5-9-24)25-10-6-3-7-11-25;1-20(27)26(29)32-19-18-31-25(28)16-17-30-21-12-14-24(15-13-21)33(22-8-4-2-5-9-22)23-10-6-3-7-11-23;1-20(26)25(27)30-19-17-28-16-18-29-21-12-14-24(15-13-21)31(22-8-4-2-5-9-22)23-10-6-3-7-11-23;1-19(18-28-24(27)25(2,3)26)29-20-14-16-23(17-15-20)30(21-10-6-4-7-11-21)22-12-8-5-9-13-22;1-25(2,26)24(27)29-19-9-18-28-20-14-16-23(17-15-20)30(21-10-5-3-6-11-21)22-12-7-4-8-13-22;1-16(15-27-24(26)17(2)25)28-18-11-13-19(14-12-18)29-22-9-5-3-7-20(22)21-8-4-6-10-23(21)29;1-17(25)24(26)28-16-6-15-27-18-11-13-19(14-12-18)29-22-9-4-2-7-20(22)21-8-3-5-10-23(21)29;1-24(2,25)23(26)28-18-17-27-19-13-15-22(16-14-19)29(20-9-5-3-6-10-20)21-11-7-4-8-12-21;1-16(24)23(25)27-15-14-26-17-10-12-18(13-11-17)28-21-8-4-2-6-19(21)20-7-3-5-9-22(20)28;1-18(24)23(25)27-17-16-26-19-12-14-22(15-13-19)28(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22H,16-21H2,1H3;2-15,20H,16-19H2,1H3;2-15,20H,16-19H2,1H3;4-17,19H,18H2,1-3H3;3-8,10-17H,9,18-19H2,1-2H3;3-14,16-17H,15H2,1-2H3;2-5,7-14,17H,6,15-16H2,1H3;3-16H,17-18H2,1-2H3;2-13,16H,14-15H2,1H3;2-15,18H,16-17H2,1H3/q10*+1
InChIKeyQYQDODSVDUQJGA-UHFFFAOYSA-N
XLogP60.83
TPSA409.29 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds88
Heavy Atoms301
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005350.33
LogP ≤ 560.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 2-(4-dibenzothiophen-5-ium-5-ylphenoxy)ethyl 2-iodopropanoate;2-(4-dibenzothiophen-5-ium-5-ylphenoxy)propyl 2-iodopropanoate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)propyl 2-iodopropanoate;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxy]phenyl]-diphenylsulfanium;[4-[1-(2-iodo-2-methylpropanoyl)oxypropan-2-yloxy]phenyl]-diphenylsulfanium;[4-[3-(2-iodo-2-methylpropanoyl)oxypropoxy]phenyl]-diphenylsulfanium;[4-[2-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]ethoxy]phenyl]-diphenylsulfanium;[4-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]phenyl]-diphenylsulfanium;[4-[3-[2-(2-iodopropanoyloxy)ethoxy]-3-oxopropoxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)ethoxy]phenyl]-diphenylsulfanium with MolForge

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Related Compounds

[4-[1-(2-iodo-2-methylpropanoyl)oxypropan-2-yloxy]phenyl]-diphenylsulfanium
CID 156684299
[4-[2-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]ethoxy]phenyl]-diphenylsulfanium
CID 156683914
diphenyl-[4-[2-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]ethoxy]phenyl]sulfanium;diphenyl-[4-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]phenyl]sulfanium;diphenyl-[4-[3-(2,4,6-triiodophenoxy)propoxy]phenyl]sulfanium;5-[4-[2-(2,4,6-triiodophenoxy)ethoxy]phenyl]dibenzothiophen-5-ium;5-[4-[1-(2,4,6-triiodophenoxy)propan-2-yloxy]phenyl]dibenzothiophen-5-ium
CID 161341979
2-[2-[2-(4-dibenzothiophen-5-ium-5-ylphenoxy)ethoxy]ethoxy]ethyl 2-bromopropanoate
CID 156683995
[4-[2-(2-iodoacetyl)oxyethoxycarbonyl]phenyl]-diphenylsulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-diphenylsulfanium;[4-[3-(2-iodo-2-methylpropanoyl)oxypropoxycarbonyl]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)ethoxycarbonyl]phenyl]-bis(4-methylphenyl)sulfanium;[4-[2-(2-iodopropanoyloxy)ethoxycarbonyl]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)ethoxycarbonyl]phenyl]-(4-methylphenyl)-phenylsulfanium;[4-[2-(2-iodopropanoyloxy)ethoxycarbonyl]phenyl]-phenyl-(4-propan-2-ylphenyl)sulfanium
CID 160838368
[4-[6-(2-iodopropanoyloxy)hexanoyloxy]phenyl]-diphenylsulfanium
CID 156684099
[4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(2,2-dimethylbutanoyloxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(2-methylbutanoyloxy)ethoxy]phenyl]-diphenylsulfanium
CID 161404527
2-(5-oxo-2,2-diphenyl-1,3-dioxolan-4-yl)ethyl 2-(4-dibenzothiophen-5-ium-5-ylphenoxy)acetate
CID 140655484
[4-(2-iodopropanoyloxy)phenyl]-diphenylsulfanium
CID 156684160
[4-(1,1-difluoro-1-sulfopropan-2-yl)oxyphenyl]-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-phenylsulfanium
CID 158077425
bis(4-bromophenyl)-[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]sulfanium;(4-bromophenyl)-[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-phenylsulfanium;[4-(5-iodo-5-methyl-4-oxohexoxy)carbonylphenyl]-bis(4-iodophenyl)sulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-(4-iodophenyl)-phenylsulfanium
CID 158857870
[4-[2-[2-(2-bromopropanoyloxy)ethoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium
CID 156684081

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzothiophen-5-ium-5-ylphenoxy)ethyl 2-iodopropanoate;2-(4-dibenzothiophen-5-ium-5-ylphenoxy)propyl 2-iodopropanoate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)propyl 2-iodopropanoate;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxy]phenyl]-diphenylsulfanium;[4-[1-(2-iodo-2-methylpropanoyl)oxypropan-2-yloxy]phenyl]-diphenylsulfanium;[4-[3-(2-iodo-2-methylpropanoyl)oxypropoxy]phenyl]-diphenylsulfanium;[4-[2-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]ethoxy]phenyl]-diphenylsulfanium;[4-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]phenyl]-diphenylsulfanium;[4-[3-[2-(2-iodopropanoyloxy)ethoxy]-3-oxopropoxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)ethoxy]phenyl]-diphenylsulfanium?
The IUPAC name of 2-(4-dibenzothiophen-5-ium-5-ylphenoxy)ethyl 2-iodopropanoate;2-(4-dibenzothiophen-5-ium-5-ylphenoxy)propyl 2-iodopropanoate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)propyl 2-iodopropanoate;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxy]phenyl]-diphenylsulfanium;[4-[1-(2-iodo-2-methylpropanoyl)oxypropan-2-yloxy]phenyl]-diphenylsulfanium;[4-[3-(2-iodo-2-methylpropanoyl)oxypropoxy]phenyl]-diphenylsulfanium;[4-[2-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]ethoxy]phenyl]-diphenylsulfanium;[4-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]phenyl]-diphenylsulfanium;[4-[3-[2-(2-iodopropanoyloxy)ethoxy]-3-oxopropoxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)ethoxy]phenyl]-diphenylsulfanium (CID 160555544) is 2-(4-dibenzothiophen-5-ium-5-ylphenoxy)ethyl 2-iodopropanoate;2-(4-dibenzothiophen-5-ium-5-ylphenoxy)propyl 2-iodopropanoate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)propyl 2-iodopropanoate;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxy]phenyl]-diphenylsulfanium;[4-[1-(2-iodo-2-methylpropanoyl)oxypropan-2-yloxy]phenyl]-diphenylsulfanium;[4-[3-(2-iodo-2-methylpropanoyl)oxypropoxy]phenyl]-diphenylsulfanium;[4-[2-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]ethoxy]phenyl]-diphenylsulfanium;[4-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]phenyl]-diphenylsulfanium;[4-[3-[2-(2-iodopropanoyloxy)ethoxy]-3-oxopropoxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)ethoxy]phenyl]-diphenylsulfanium.
What is the SMILES notation for 2-(4-dibenzothiophen-5-ium-5-ylphenoxy)ethyl 2-iodopropanoate;2-(4-dibenzothiophen-5-ium-5-ylphenoxy)propyl 2-iodopropanoate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)propyl 2-iodopropanoate;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxy]phenyl]-diphenylsulfanium;[4-[1-(2-iodo-2-methylpropanoyl)oxypropan-2-yloxy]phenyl]-diphenylsulfanium;[4-[3-(2-iodo-2-methylpropanoyl)oxypropoxy]phenyl]-diphenylsulfanium;[4-[2-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]ethoxy]phenyl]-diphenylsulfanium;[4-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]phenyl]-diphenylsulfanium;[4-[3-[2-(2-iodopropanoyloxy)ethoxy]-3-oxopropoxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)ethoxy]phenyl]-diphenylsulfanium?
The canonical SMILES for 2-(4-dibenzothiophen-5-ium-5-ylphenoxy)ethyl 2-iodopropanoate;2-(4-dibenzothiophen-5-ium-5-ylphenoxy)propyl 2-iodopropanoate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)propyl 2-iodopropanoate;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxy]phenyl]-diphenylsulfanium;[4-[1-(2-iodo-2-methylpropanoyl)oxypropan-2-yloxy]phenyl]-diphenylsulfanium;[4-[3-(2-iodo-2-methylpropanoyl)oxypropoxy]phenyl]-diphenylsulfanium;[4-[2-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]ethoxy]phenyl]-diphenylsulfanium;[4-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]phenyl]-diphenylsulfanium;[4-[3-[2-(2-iodopropanoyloxy)ethoxy]-3-oxopropoxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)ethoxy]phenyl]-diphenylsulfanium is CC(C)(I)C(=O)OCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(I)C(=O)OCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(COC(=O)C(C)(C)I)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(COC(=O)C(C)I)Oc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.CC(I)C(=O)OCCCOc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.CC(I)C(=O)OCCOC(=O)CCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(I)C(=O)OCCOCCOCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(I)C(=O)OCCOCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(I)C(=O)OCCOc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.CC(I)C(=O)OCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(4-dibenzothiophen-5-ium-5-ylphenoxy)ethyl 2-iodopropanoate;2-(4-dibenzothiophen-5-ium-5-ylphenoxy)propyl 2-iodopropanoate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)propyl 2-iodopropanoate;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxy]phenyl]-diphenylsulfanium;[4-[1-(2-iodo-2-methylpropanoyl)oxypropan-2-yloxy]phenyl]-diphenylsulfanium;[4-[3-(2-iodo-2-methylpropanoyl)oxypropoxy]phenyl]-diphenylsulfanium;[4-[2-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]ethoxy]phenyl]-diphenylsulfanium;[4-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]phenyl]-diphenylsulfanium;[4-[3-[2-(2-iodopropanoyloxy)ethoxy]-3-oxopropoxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)ethoxy]phenyl]-diphenylsulfanium?
The InChIKey is QYQDODSVDUQJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30IO5S.C26H26IO5S.C25H26IO4S.2C25H26IO3S.2C24H22IO3S.C24H24IO3S.C23H20IO3S.C23H22IO3S/c1-22(28)27(29)33-21-19-31-17-16-30-18-20-32-23-12-14-26(15-13-23)34(24-8-4-2-5-9-24)25-10-6-3-7-11-25;1-20(27)26(29)32-19-18-31-25(28)16-17-30-21-12-14-24(15-13-21)33(22-8-4-2-5-9-22)23-10-6-3-7-11-23;1-20(26)25(27)30-19-17-28-16-18-29-21-12-14-24(15-13-21)31(22-8-4-2-5-9-22)23-10-6-3-7-11-23;1-19(18-28-24(27)25(2,3)26)29-20-14-16-23(17-15-20)30(21-10-6-4-7-11-21)22-12-8-5-9-13-22;1-25(2,26)24(27)29-19-9-18-28-20-14-16-23(17-15-20)30(21-10-5-3-6-11-21)22-12-7-4-8-13-22;1-16(15-27-24(26)17(2)25)28-18-11-13-19(14-12-18)29-22-9-5-3-7-20(22)21-8-4-6-10-23(21)29;1-17(25)24(26)28-16-6-15-27-18-11-13-19(14-12-18)29-22-9-4-2-7-20(22)21-8-3-5-10-23(21)29;1-24(2,25)23(26)28-18-17-27-19-13-15-22(16-14-19)29(20-9-5-3-6-10-20)21-11-7-4-8-12-21;1-16(24)23(25)27-15-14-26-17-10-12-18(13-11-17)28-21-8-4-2-6-19(21)20-7-3-5-9-22(20)28;1-18(24)23(25)27-17-16-26-19-12-14-22(15-13-19)28(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22H,16-21H2,1H3;2-15,20H,16-19H2,1H3;2-15,20H,16-19H2,1H3;4-17,19H,18H2,1-3H3;3-8,10-17H,9,18-19H2,1-2H3;3-14,16-17H,15H2,1-2H3;2-5,7-14,17H,6,15-16H2,1H3;3-16H,17-18H2,1-2H3;2-13,16H,14-15H2,1H3;2-15,18H,16-17H2,1H3/q10*+1.
What are the key properties of 2-(4-dibenzothiophen-5-ium-5-ylphenoxy)ethyl 2-iodopropanoate;2-(4-dibenzothiophen-5-ium-5-ylphenoxy)propyl 2-iodopropanoate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)propyl 2-iodopropanoate;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxy]phenyl]-diphenylsulfanium;[4-[1-(2-iodo-2-methylpropanoyl)oxypropan-2-yloxy]phenyl]-diphenylsulfanium;[4-[3-(2-iodo-2-methylpropanoyl)oxypropoxy]phenyl]-diphenylsulfanium;[4-[2-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]ethoxy]phenyl]-diphenylsulfanium;[4-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]phenyl]-diphenylsulfanium;[4-[3-[2-(2-iodopropanoyloxy)ethoxy]-3-oxopropoxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)ethoxy]phenyl]-diphenylsulfanium?
2-(4-dibenzothiophen-5-ium-5-ylphenoxy)ethyl 2-iodopropanoate;2-(4-dibenzothiophen-5-ium-5-ylphenoxy)propyl 2-iodopropanoate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)propyl 2-iodopropanoate;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxy]phenyl]-diphenylsulfanium;[4-[1-(2-iodo-2-methylpropanoyl)oxypropan-2-yloxy]phenyl]-diphenylsulfanium;[4-[3-(2-iodo-2-methylpropanoyl)oxypropoxy]phenyl]-diphenylsulfanium;[4-[2-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]ethoxy]phenyl]-diphenylsulfanium;[4-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]phenyl]-diphenylsulfanium;[4-[3-[2-(2-iodopropanoyloxy)ethoxy]-3-oxopropoxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)ethoxy]phenyl]-diphenylsulfanium has a molecular weight of 5350.33 g/mol, XLogP of 60.83, 88 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzothiophen-5-ium-5-ylphenoxy)ethyl 2-iodopropanoate;2-(4-dibenzothiophen-5-ium-5-ylphenoxy)propyl 2-iodopropanoate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)propyl 2-iodopropanoate;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxy]phenyl]-diphenylsulfanium;[4-[1-(2-iodo-2-methylpropanoyl)oxypropan-2-yloxy]phenyl]-diphenylsulfanium;[4-[3-(2-iodo-2-methylpropanoyl)oxypropoxy]phenyl]-diphenylsulfanium;[4-[2-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]ethoxy]phenyl]-diphenylsulfanium;[4-[2-[2-(2-iodopropanoyloxy)ethoxy]ethoxy]phenyl]-diphenylsulfanium;[4-[3-[2-(2-iodopropanoyloxy)ethoxy]-3-oxopropoxy]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)ethoxy]phenyl]-diphenylsulfanium is sourced from PubChem (CID 160555544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).