N1S
Summary
| Name: | (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |
| Synonyms: | cis,trans-Farnesol |
| Formula: | C15 H26 O |
| Formal charge: | 0 |
| Formula weight: | 222.366 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |
| OpenEye OEToolkits | 2.0.7 | (2~{Z},6~{E})-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C\C(=C\CC\C(=C\CC\C(=C/CO)C)C)C |
| InChI | InChI | 1.03 | InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11- |
| InChIKey | InChI | 1.03 | CRDAMVZIKSXKFV-PVMFERMNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)=CCC\C(C)=C\CC\C(C)=C/CO |
| SMILES | CACTVS | 3.385 | CC(C)=CCCC(C)=CCCC(C)=CCO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=CCC/C(=C/CC/C(=C\CO)/C)/C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=CCCC(=CCCC(=CCO)C)C)C |
