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| Duplicate ID | |
|---|---|
| Molecule Name | 4-((E)-{[2-(octadecylthio)ethyl]imino}methyl)benzene-1,3-diol |
| Smiles | CCCCCCCCCCCCCCCCCCSCC/N=C/c1ccc(cc1O)O |
| Cas Number | |
| InchiKey | TXQJBARSXVYLGF-ZZIIXHQDSA-N |
| InChi | InChI=1S/C27H47NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-31-22-20-28-24-25-18-19-26(29)23-27(25)30/h18-19,23-24,29-30H,2-17,20-22H2,1H3/b28-24+ |
| Formula | C27H47NO2S |
| Molecular weight | 449.733 |
| Rings | 1 |
| logP | 8.5114 |
| PSA | 78.12 |
| MR | 142.87 |