CTK5D9940
ethyl 9-(3-chloro-2,4,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate
Also Known As: Ro 11503|Ro 11-503|9-(3-chloro-2,4,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraen-1-oic acid ethyl ester|ethyl 9-(3-chloro-2,4,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate|2,4,6,8-Nonatetraenoicacid, 9-(3-chloro-2,4,6-trimethylphenyl)-3,7-dimethyl-, ethyl ester,(2E,4E,6E,8E)-|9-(3-chloro-2,4,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraen-oic acid ethyl ester
| Molecular Formula | C22H27ClO2 |
|---|---|
| Molecular Weight | 358.16995 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 358.16995 |
| Monoisotopic Mass | 358.16995 |
| Heavy Atoms | 25 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 74479-75-7 |
|---|---|
| SMILES | CCOC(=O)C=C(C)C=CC=C(C)C=CC1=C(C(=C(C=C1C)C)Cl)C |
| InChIKey | NXIHLBSXOXSDDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CTK5D9940 (CAS 74479-75-7), with molecular formula C22H27ClO2 and molecular weight 358.16995 g/mol. IUPAC: ethyl 9-(3-chloro-2,4,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate.
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