8XO
Summary
| Name: | 2-[E-(E-16-azido-2-oxidanylidene-hexadec-3-enylidene)amino]ethanoic acid |
| Formula: | C18 H30 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 350.456 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-[(~{E})-[(~{E})-16-azido-2-oxidanylidene-hexadec-3-enylidene]amino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H30N4O3/c19-22-21-14-12-10-8-6-4-2-1-3-5-7-9-11-13-17(23)15-20-16-18(24)25/h11,13,15H,1-10,12,14,16H2,(H,24,25)/b13-11+,20-15+ |
| InChIKey | InChI | 1.03 | VMJXHBQSQBKHEB-PZBCRXGTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CN=CC(=O)/C=C/CCCCCCCCCCCCN=[N+]=[N-] |
| SMILES | CACTVS | 3.385 | OC(=O)CN=CC(=O)C=CCCCCCCCCCCCCN=[N+]=[N-] |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C(CCCCCCN=[N+]=[N-])CCCCC/C=C/C(=O)/C=N/CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(CCCCCCN=[N+]=[N-])CCCCCC=CC(=O)C=NCC(=O)O |
