7FI
Summary
| Name: | (2R,3R)-6-methyl-2,3-bis(oxidanyl)heptanoic acid |
| Synonyms: | 2R,3R-2,3-dihydroxy-6-methyl-heptanoate |
| Formula: | C8 H16 O4 |
| Formal charge: | 0 |
| Formula weight: | 176.21 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R})-6-methyl-2,3-bis(oxidanyl)heptanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H16O4/c1-5(2)3-4-6(9)7(10)8(11)12/h5-7,9-10H,3-4H2,1-2H3,(H,11,12)/t6-,7-/m1/s1 |
| InChIKey | InChI | 1.03 | GGZLDTFSYRKUEP-RNFRBKRXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CC[C@@H](O)[C@@H](O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)CC[CH](O)[CH](O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)CC[C@H]([C@H](C(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CCC(C(C(=O)O)O)O |
