A1BMF
Summary
| Name: | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1-thiol |
| Formula: | C15 H26 S |
| Formal charge: | 0 |
| Formula weight: | 238.432 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1-thiol |
| OpenEye OEToolkits | 3.1.0.0 | (2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-triene-1-thiol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | C/C(C)=C\CCC(\C)=C\CCC(\C)=C\CS |
| InChI | InChI | 1.06 | InChI=1S/C15H26S/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 | 1.06 | CJWPDADGDASKGI-YFVJMOTDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)=CCC\C(C)=C\CC\C(C)=C\CS |
| SMILES | CACTVS | 3.385 | CC(C)=CCCC(C)=CCCC(C)=CCS |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(=CCC/C(=C/CC/C(=C/CS)/C)/C)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(=CCCC(=CCCC(=CCS)C)C)C |
