8Z9
Summary
| Name: | Sapienic 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 | (6Z)-hexadec-6-enoic acid |
| OpenEye OEToolkits | 2.0.7 | (~{Z})-hexadec-6-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCCC\C=C/CCCCCCCCC |
| 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/h10-11H,2-9,12-15H2,1H3,(H,17,18)/b11-10- |
| InChIKey | InChI | 1.03 | NNNVXFKZMRGJPM-KHPPLWFESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCC\C=C/CCCCC(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCCCCC=CCCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCCC/C=C\CCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCC=CCCCCC(=O)O |
