C144H230F5O14S3+ — CID 160949304
4-butan-2-ylbenzenesulfonate;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;bis(4-butan-2-ylphenol);1-(4-butan-2-ylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2,3-dihydro-1H-inden-1-yl 2-methylbutanoate;methane;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;1,2,3,4,5-pentafluoro-6-methylbenzene;triphenylsulfanium (PubChem CID 160949304) has the molecular formula C144H230F5O14S3+ and a molecular weight of 2376.60 g/mol. Its IUPAC name is 4-butan-2-ylbenzenesulfonate;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;bis(4-butan-2-ylphenol);1-(4-butan-2-ylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2,3-dihydro-1H-inden-1-yl 2-methylbutanoate;methane;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;1,2,3,4,5-pentafluoro-6-methylbenzene;triphenylsulfanium.
| Compound Name | 4-butan-2-ylbenzenesulfonate;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;bis(4-butan-2-ylphenol);1-(4-butan-2-ylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2,3-dihydro-1H-inden-1-yl 2-methylbutanoate;methane;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;1,2,3,4,5-pentafluoro-6-methylbenzene;triphenylsulfanium |
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| PubChem CID | 160949304 |
| Molecular Formula | C144H230F5O14S3+ |
| Molecular Weight | 2376.60 g/mol |
| Exact Mass | 2374.64 |
| IUPAC Name | 4-butan-2-ylbenzenesulfonate;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;bis(4-butan-2-ylphenol);1-(4-butan-2-ylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2,3-dihydro-1H-inden-1-yl 2-methylbutanoate;methane;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;1,2,3,4,5-pentafluoro-6-methylbenzene;triphenylsulfanium |
| SMILES | C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OC(C)c1ccc(OC)cc1.CCC(C)C(=O)OC1CCc2ccccc21.CCC(C)c1ccc(C(=O)C[S+]2CCCC2)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)(C)C)cc1.CCC(C)c1ccc(S(=O)(=O)[O-])cc1.CCOC(C)Oc1ccc(C(C)CC)cc1.Cc1c(F)c(F)c(F)c(F)c1F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1 |
| InChI | InChI=1S/C18H15S.C16H23OS.C15H22O3.C14H18O2.C14H22O2.C14H22O.C10H14O3S.2C10H14O.C7H3F5.16CH4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-13(2)14-6-8-15(9-7-14)16(17)12-18-10-4-5-11-18;1-6-15(3,4)14(16)18-11(2)12-7-9-13(17-5)10-8-12;1-3-10(2)14(15)16-13-9-8-11-6-4-5-7-12(11)13;1-5-11(3)13-7-9-14(10-8-13)16-12(4)15-6-2;1-6-11(2)12-7-9-13(10-8-12)15-14(3,4)5;1-3-8(2)9-4-6-10(7-5-9)14(11,12)13;2*1-3-8(2)9-4-6-10(11)7-5-9;1-2-3(8)5(10)7(12)6(11)4(2)9;;;;;;;;;;;;;;;;/h1-15H;6-9,13H,3-5,10-12H2,1-2H3;7-11H,6H2,1-5H3;4-7,10,13H,3,8-9H2,1-2H3;7-12H,5-6H2,1-4H3;7-11H,6H2,1-5H3;4-8H,3H2,1-2H3,(H,11,12,13);2*4-8,11H,3H2,1-2H3;1H3;16*1H4/q2*+1;;;;;;;;;;;;;;;;;;;;;;;;/p-1 |
| InChIKey | SVNRVPSPVUBLTK-UHFFFAOYSA-M |
| XLogP | 44.70 |
| TPSA | 204.25 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 166 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2376.60 |
| LogP ≤ 5 | 44.70 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 14 |
| Structural Alerts | {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'} |
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