4WC
Summary
| Name: | (S)-CYCLOHEXYL LACTIC ACID |
| Formula: | C9 H16 O3 |
| Formal charge: | 0 |
| Formula weight: | 172.222 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-3-cyclohexyl-2-hydroxypropanoic acid |
| OpenEye OEToolkits | 1.9.2 | (2S)-3-cyclohexyl-2-oxidanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(O)CC1CCCCC1 |
| InChI | InChI | 1.03 | InChI=1S/C9H16O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8,10H,1-6H2,(H,11,12)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | WMHUKKRNWMPXKB-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H](CC1CCCCC1)C(O)=O |
| SMILES | CACTVS | 3.385 | O[CH](CC1CCCCC1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C1CCC(CC1)C[C@@H](C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | C1CCC(CC1)CC(C(=O)O)O |
