D0G
Summary
| Name: | (14S)-14-methylhexadecanoic acid |
| Formula: | C17 H34 O2 |
| Formal charge: | 0 |
| Formula weight: | 270.451 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (14S)-14-methylhexadecanoic acid |
| OpenEye OEToolkits | 2.0.6 | (14~{S})-14-methylhexadecanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(CCCCCCCCCCC(C)CC)CC(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C17H34O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)/t16-/m0/s1 |
| InChIKey | InChI | 1.03 | FXUKWLSZZHVEJD-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](C)CCCCCCCCCCCCC(O)=O |
| SMILES | CACTVS | 3.385 | CC[CH](C)CCCCCCCCCCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC[C@H](C)CCCCCCCCCCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCC(C)CCCCCCCCCCCCC(=O)O |
