FPS
Summary
| Name: | S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE |
| Synonyms: | FARNESYL THIOPYROPHOSPHATE |
| Formula: | C15 H28 O6 P2 S |
| Formal charge: | 0 |
| Formula weight: | 398.392 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | S-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl] trihydrogen thiodiphosphate |
| OpenEye OEToolkits | 1.5.0 | phosphonooxy-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-phosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(OP(=O)(O)O)SC/C=C(/CC/C=C(\C)CC\C=C(/C)C)C |
| InChI | InChI | 1.03 | InChI=1S/C15H28O6P2S/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-24-23(19,20)21-22(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+ |
| InChIKey | InChI | 1.03 | MYMLCRQRXFRQGP-YFVJMOTDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)=CCC/C(C)=C/CCC(/C)=C/CS[P](O)(=O)O[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)=CCCC(C)=CCCC(C)=CCS[P](O)(=O)O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C |
| SMILES | OpenEye OEToolkits | 1.7.5 | CC(=CCCC(=CCCC(=CCSP(=O)(O)OP(=O)(O)O)C)C)C |
