6FH
Summary
| Name: | (6~{S})-6-methyloctanoic acid |
| Formula: | C9 H18 O2 |
| Formal charge: | 0 |
| Formula weight: | 158.238 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | (6~{S})-6-methyloctanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H18O2/c1-3-8(2)6-4-5-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | GPOPHQSTNHUENT-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](C)CCCCC(O)=O |
| SMILES | CACTVS | 3.385 | CC[CH](C)CCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CC[C@H](C)CCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | CCC(C)CCCCC(=O)O |
