02U
Summary
| Name: | 14-methylhexadec-9-enoic acid |
| Formula: | C17 H32 O2 |
| Formal charge: | 0 |
| Formula weight: | 268.435 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 14-methylhexadec-9-enoic acid |
| OpenEye OEToolkits | 1.7.2 | 14-methylhexadec-9-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCCCCCC/C=C/CCCC(C)CC |
| InChI | InChI | 1.03 | InChI=1S/C17H32O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h6,8,16H,3-5,7,9-15H2,1-2H3,(H,18,19) |
| InChIKey | InChI | 1.03 | JSOOUDKFWVPPEF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCC(C)CCCC=CCCCCCCCC(O)=O |
| SMILES | CACTVS | 3.370 | CCC(C)CCCC=CCCCCCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCC(C)CCCC=CCCCCCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | CCC(C)CCCC=CCCCCCCCC(=O)O |
