C196H212O23S8+8 — CID 158088736
bis[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;[4-(1-tert-butylperoxyethenoxy)phenyl]-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-phenylsulfanium;diphenyl-(4-propan-2-yloxyphenyl)sulfanium;(4-methylphenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;propan-2-one (PubChem CID 158088736) has the molecular formula C196H212O23S8+8 and a molecular weight of 3192.36 g/mol. Its IUPAC name is bis[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;[4-(1-tert-butylperoxyethenoxy)phenyl]-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-phenylsulfanium;diphenyl-(4-propan-2-yloxyphenyl)sulfanium;(4-methylphenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;propan-2-one.
| Compound Name | bis[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;[4-(1-tert-butylperoxyethenoxy)phenyl]-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-phenylsulfanium;diphenyl-(4-propan-2-yloxyphenyl)sulfanium;(4-methylphenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;propan-2-one |
|---|---|
| PubChem CID | 158088736 |
| Molecular Formula | C196H212O23S8+8 |
| Molecular Weight | 3192.36 g/mol |
| Exact Mass | 3189.31 |
| IUPAC Name | bis[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;[4-(1-tert-butylperoxyethenoxy)phenyl]-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-phenylsulfanium;diphenyl-(4-propan-2-yloxyphenyl)sulfanium;(4-methylphenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;propan-2-one |
| SMILES | C=C(OOC(C)(C)C)Oc1ccc([S+](c2ccccc2)c2ccc(OCC(=O)OC(C)(C)C)cc2)cc1.CC(C)(C)OC(=O)COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)OC(=O)Oc1ccc([S+](c2ccccc2)c2ccc(OC(=O)OC(C)(C)C)cc2)cc1.CC(C)(C)OC(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)=O.CC(C)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccc(OC(C)(C)C)cc2)cc1 |
| InChI | InChI=1S/C30H35O6S.C28H31O6S.C24H25O3S.C23H23O3S.C23H25OS.2C22H23OS.C21H21OS.C3H6O/c1-22(35-36-30(5,6)7)33-24-15-19-27(20-16-24)37(25-11-9-8-10-12-25)26-17-13-23(14-18-26)32-21-28(31)34-29(2,3)4;1-27(2,3)33-25(29)31-20-12-16-23(17-13-20)35(22-10-8-7-9-11-22)24-18-14-21(15-19-24)32-26(30)34-28(4,5)6;1-24(2,3)27-23(25)18-26-19-14-16-22(17-15-19)28(20-10-6-4-7-11-20)21-12-8-5-9-13-21;1-23(2,3)26-22(24)25-18-14-16-21(17-15-18)27(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-18-10-14-21(15-11-18)25(20-8-6-5-7-9-20)22-16-12-19(13-17-22)24-23(2,3)4;1-22(2,3)23-18-14-16-21(17-15-18)24(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-2-3-18-23-19-14-16-22(17-15-19)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21;1-17(2)22-18-13-15-21(16-14-18)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20;1-3(2)4/h8-20H,1,21H2,2-7H3;7-19H,1-6H3;4-17H,18H2,1-3H3;4-17H,1-3H3;5-17H,1-4H3;4-17H,1-3H3;4-17H,2-3,18H2,1H3;3-17H,1-2H3;1-2H3/q8*+1; |
| InChIKey | FNVJGWZICCUCSJ-UHFFFAOYSA-N |
| XLogP | 50.46 |
| TPSA | 259.33 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 227 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3192.36 |
| LogP ≤ 5 | 50.46 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 23 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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