3IV
Summary
| Name: | (11E)-hexadec-11-enoic acid |
| Formula: | C16 H30 O2 |
| Formal charge: | 0 |
| Formula weight: | 254.408 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (11E)-hexadec-11-enoic acid |
| OpenEye OEToolkits | 2.0.7 | (~{E})-hexadec-11-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCCCCCCCC\C=C\CCCC |
| InChI | InChI | 1.03 | InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h5-6H,2-4,7-15H2,1H3,(H,17,18)/b6-5+ |
| InChIKey | InChI | 1.03 | JGMYDQCXGIMHLL-AATRIKPKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC/C=C/CCCCCCCCCC(O)=O |
| SMILES | CACTVS | 3.385 | CCCCC=CCCCCCCCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCC/C=C/CCCCCCCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCC=CCCCCCCCCCC(=O)O |
