BMJ
Summary
| Name: | (12R)-12-methyltetradecanoic acid |
| Formula: | C15 H30 O2 |
| Formal charge: | 0 |
| Formula weight: | 242.397 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (12R)-12-methyltetradecanoic acid |
| OpenEye OEToolkits | 2.0.6 | (12~{R})-12-methyltetradecanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(CC(CC)C)CCCCCCCCC(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C15H30O2/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)/t14-/m1/s1 |
| InChIKey | InChI | 1.03 | XKLJLHAPJBUBNL-CQSZACIVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](C)CCCCCCCCCCC(O)=O |
| SMILES | CACTVS | 3.385 | CC[CH](C)CCCCCCCCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC[C@@H](C)CCCCCCCCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCC(C)CCCCCCCCCCC(=O)O |
