T65
Summary
| Name: | 2-[E-(E-2-oxidanylidenehexadec-5-enylidene)amino]ethanoic acid |
| Formula: | C18 H31 N O3 |
| Formal charge: | 0 |
| Formula weight: | 309.444 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-[(~{E})-[(~{E})-2-oxidanylidenehexadec-5-enylidene]amino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)15-19-16-18(21)22/h11-12,15H,2-10,13-14,16H2,1H3,(H,21,22)/b12-11+,19-15+ |
| InChIKey | InChI | 1.03 | YSSZBWQPDXCJEP-IHFZGXTKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCC\C=C\CCC(=O)C=NCC(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCCCCCC=CCCC(=O)C=NCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCCCCCCC/C=C/CCC(=O)/C=N/CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCCCCCCCCC=CCCC(=O)C=NCC(=O)O |
