A1CHR
Summary
| Name: | (10R,12S)-10,12-dimethyltetradecanoic acid |
| Formula: | C16 H32 O2 |
| Formal charge: | 0 |
| Formula weight: | 256.424 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (10R,12S)-10,12-dimethyltetradecanoic acid |
| OpenEye OEToolkits | 3.1.0.0 | (10~{R},12~{S})-10,12-dimethyltetradecanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(O)CCCCCCCCC(C)CC(C)CC |
| InChI | InChI | 1.06 | InChI=1S/C16H32O2/c1-4-14(2)13-15(3)11-9-7-5-6-8-10-12-16(17)18/h14-15H,4-13H2,1-3H3,(H,17,18)/t14-,15+/m0/s1 |
| InChIKey | InChI | 1.06 | WVVOQHDHMCOQHX-LSDHHAIUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](C)C[C@H](C)CCCCCCCCC(O)=O |
| SMILES | CACTVS | 3.385 | CC[CH](C)C[CH](C)CCCCCCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCC(C)CC(C)CCCCCCCCC(=O)O |
