FII
Summary
Name: | [(3,7,11-TRIMETHYL-DODECA-2,6,10-TRIENYLOXYCARBAMOYL)-METHYL]-PHOSPHONIC ACID |
Synonyms: | FPP ANALOG |
Formula: | C17 H30 N O5 P |
Formal charge: | 0 |
Formula weight: | 359.398 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | [2-oxo-2-({[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}amino)ethyl]phosphonic acid |
OpenEye OEToolkits | 1.5.0 | [2-oxo-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]amino]ethyl]phosphonic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NOC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)CP(=O)(O)O |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)=CCC\C(C)=C\CC\C(C)=C\CONC(=O)C[P](O)(O)=O |
SMILES | CACTVS | 3.341 | CC(C)=CCCC(C)=CCCC(C)=CCONC(=O)C[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=CCC/C(=C/CC/C(=C/CONC(=O)CP(=O)(O)O)/C)/C)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(=CCCC(=CCCC(=CCONC(=O)CP(=O)(O)O)C)C)C |
InChI | InChI | 1.03 | InChI=1S/C17H30NO5P/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-23-18-17(19)13-24(20,21)22/h7,9,11H,5-6,8,10,12-13H2,1-4H3,(H,18,19)(H2,20,21,22)/b15-9+,16-11+ |
InChIKey | InChI | 1.03 | JAOBYUCYSAOLHS-XGGJEREUSA-N |