A1JY8
Summary
| Name: | 4-(4-hexyl-2-hydroxyphenoxy)benzaldehyde |
| Synonyms: | 4-(4-hexyl-2-oxidanyl-phenoxy)benzaldehyde |
| Formula: | C19 H22 O3 |
| Formal charge: | 0 |
| Formula weight: | 298.376 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(4-hexyl-2-oxidanyl-phenoxy)benzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H22O3/c1-2-3-4-5-6-15-9-12-19(18(21)13-15)22-17-10-7-16(14-20)8-11-17/h7-14,21H,2-6H2,1H3 |
| InChIKey | InChI | 1.06 | OTKBBQSLLQIFIY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCc1ccc(Oc2ccc(C=O)cc2)c(O)c1 |
| SMILES | CACTVS | 3.385 | CCCCCCc1ccc(Oc2ccc(C=O)cc2)c(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)C=O |
