14U
Summary
| Name: | (2S)-2-methyl-3-oxooctadecanoic acid |
| Formula: | C19 H36 O3 |
| Formal charge: | 0 |
| Formula weight: | 312.487 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-methyl-3-oxooctadecanoic acid |
| OpenEye OEToolkits | 1.7.2 | 2-methyl-3-oxidanylidene-octadecanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(CCCCCCCCCCCCCCC)C(C(=O)O)C |
| InChI | InChI | 1.03 | InChI=1S/C19H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19(21)22/h17H,3-16H2,1-2H3,(H,21,22)/t17-/m0/s1 |
| InChIKey | InChI | 1.03 | CTAVBSJDGRRDNY-KRWDZBQOSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCCCCCCCCCCCCCC(=O)[C@H](C)C(O)=O |
| SMILES | CACTVS | 3.370 | CCCCCCCCCCCCCCCC(=O)[CH](C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCCCCCCCCCCCCCCC(=O)C(C)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | CCCCCCCCCCCCCCCC(=O)C(C)C(=O)O |
