C400H497O40S27+ — CID 157327755
butane-1-sulfonate;(4-tert-butylphenyl)-bis(4-ethylphenyl)sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;dodecane-1-sulfonate;ethanesulfonate;1-ethyl-7,7-dimethylbicyclo[2.2.1]heptan-2-one;tetrakis(hexadecane-1-sulfonate);hexane-1-sulfonate;methanesulfonate;1-methyl-4-oxidoperoxysulfanylbenzene;(4-methylphenyl)-diphenylsulfanium;octane-1-sulfonate;2-oxidoperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene;propane-1-sulfonate;undecakis(triphenylsulfanium) (PubChem CID 157327755) has the molecular formula C400H497O40S27+ and a molecular weight of 6811.15 g/mol. Its IUPAC name is butane-1-sulfonate;(4-tert-butylphenyl)-bis(4-ethylphenyl)sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;dodecane-1-sulfonate;ethanesulfonate;1-ethyl-7,7-dimethylbicyclo[2.2.1]heptan-2-one;tetrakis(hexadecane-1-sulfonate);hexane-1-sulfonate;methanesulfonate;1-methyl-4-oxidoperoxysulfanylbenzene;(4-methylphenyl)-diphenylsulfanium;octane-1-sulfonate;2-oxidoperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene;propane-1-sulfonate;undecakis(triphenylsulfanium).
| Compound Name | butane-1-sulfonate;(4-tert-butylphenyl)-bis(4-ethylphenyl)sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;dodecane-1-sulfonate;ethanesulfonate;1-ethyl-7,7-dimethylbicyclo[2.2.1]heptan-2-one;tetrakis(hexadecane-1-sulfonate);hexane-1-sulfonate;methanesulfonate;1-methyl-4-oxidoperoxysulfanylbenzene;(4-methylphenyl)-diphenylsulfanium;octane-1-sulfonate;2-oxidoperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene;propane-1-sulfonate;undecakis(triphenylsulfanium) |
|---|---|
| PubChem CID | 157327755 |
| Molecular Formula | C400H497O40S27+ |
| Molecular Weight | 6811.15 g/mol |
| Exact Mass | 6803.93 |
| IUPAC Name | butane-1-sulfonate;(4-tert-butylphenyl)-bis(4-ethylphenyl)sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;dodecane-1-sulfonate;ethanesulfonate;1-ethyl-7,7-dimethylbicyclo[2.2.1]heptan-2-one;tetrakis(hexadecane-1-sulfonate);hexane-1-sulfonate;methanesulfonate;1-methyl-4-oxidoperoxysulfanylbenzene;(4-methylphenyl)-diphenylsulfanium;octane-1-sulfonate;2-oxidoperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene;propane-1-sulfonate;undecakis(triphenylsulfanium) |
| SMILES | CC(C)c1cc(C(C)C)c(SOO[O-])c(C(C)C)c1.CCC12CCC(CC1=O)C2(C)C.CCCCCCCCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCS(=O)(=O)[O-].CCCCCCS(=O)(=O)[O-].CCCCS(=O)(=O)[O-].CCCS(=O)(=O)[O-].CCS(=O)(=O)[O-].CCc1ccc([S+](c2ccc(CC)cc2)c2ccc(C(C)(C)C)cc2)cc1.CS(=O)(=O)[O-].Cc1ccc(SOO[O-])cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1 |
| InChI | InChI=1S/C26H31S.C24H25S.C19H17S.11C18H15S.4C16H34O3S.C15H24O3S.C12H26O3S.C11H18O.C8H18O3S.C7H8O3S.C6H14O3S.C4H10O3S.C3H8O3S.C2H6O3S.CH4O3S/c1-6-20-8-14-23(15-9-20)27(24-16-10-21(7-2)11-17-24)25-18-12-22(13-19-25)26(3,4)5;1-4-10-20(11-5-1)21-16-18-24(19-17-21)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;11*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19;1-9(2)12-7-13(10(3)4)15(19-18-17-16)14(8-12)11(5)6;1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;1-4-11-6-5-8(7-9(11)12)10(11,2)3;1-2-3-4-5-6-7-8-12(9,10)11;1-6-2-4-7(5-3-6)11-10-9-8;1-2-3-4-5-6-10(7,8)9;1-2-3-4-8(5,6)7;1-2-3-7(4,5)6;1-2-6(3,4)5;1-5(2,3)4/h8-19H,6-7H2,1-5H3;2-3,6-9,12-20H,1,4-5,10-11H2;2-15H,1H3;11*1-15H;4*2-16H2,1H3,(H,17,18,19);7-11,16H,1-6H3;2-12H2,1H3,(H,13,14,15);8H,4-7H2,1-3H3;2-8H2,1H3,(H,9,10,11);2-5,8H,1H3;2-6H2,1H3,(H,7,8,9);2-4H2,1H3,(H,5,6,7);2-3H2,1H3,(H,4,5,6);2H2,1H3,(H,3,4,5);1H3,(H,2,3,4)/q14*+1;;;;;;;;;;;;;;/p-13 |
| InChIKey | GYVNZLDSODQUTM-UHFFFAOYSA-A |
| XLogP | 105.53 |
| TPSA | 729.31 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 144 |
| Heavy Atoms | 467 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 6811.15 |
| LogP ≤ 5 | 105.53 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 42 |