GGS
Summary
| Name: | phosphonooxy-[(10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanyl-phosphinic acid |
| Formula: | C20 H36 O6 P2 S |
| Formal charge: | 0 |
| Formula weight: | 466.509 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | phosphonooxy-[(10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanyl-phosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(C)=CCCC(/C)=C/CC/C(C)=C/CCC(\C)=C/CS[P](O)(=O)O[P](O)(O)=O |
| SMILES | CACTVS | 3.352 | CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCS[P](O)(=O)O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(=CCC/C(=C/CCC(=CCCC(=CCS[P@@](=O)(O)OP(=O)(O)O)C)C)/C)C |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(=CCCC(=CCCC(=CCCC(=CCSP(=O)(O)OP(=O)(O)O)C)C)C)C |
| InChI | InChI | 1.03 | InChI=1S/C20H36O6P2S/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-29-28(24,25)26-27(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13?,20-15- |
| InChIKey | InChI | 1.03 | BUSOKXFDTDWPOS-OGGZDJOISA-N |
