A1BYH
Summary
| Name: | (2E)-12-phenoxydodec-2-en-1-ol |
| Formula: | C18 H28 O2 |
| Formal charge: | 0 |
| Formula weight: | 276.414 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2E)-12-phenoxydodec-2-en-1-ol |
| OpenEye OEToolkits | 3.1.0.0 | (~{E})-12-phenoxydodec-2-en-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OC\C=C\CCCCCCCCCOc1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C18H28O2/c19-16-12-7-5-3-1-2-4-6-8-13-17-20-18-14-10-9-11-15-18/h7,9-12,14-15,19H,1-6,8,13,16-17H2 |
| InChIKey | InChI | 1.06 | FYHKQZDCHQMJGE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC\C=C\CCCCCCCCCOc1ccccc1 |
| SMILES | CACTVS | 3.385 | OCC=CCCCCCCCCCOc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)OCCCCCCCCC/C=C/CO |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)OCCCCCCCCCC=CCO |
