5VO
Summary
| Name: | 6-oxidanylidene-6-phenyl-hexanoic acid |
| Synonyms: | 5-Benzoylpentanoic Acid |
| Formula: | C12 H14 O3 |
| Formal charge: | 0 |
| Formula weight: | 206.238 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 6-oxidanylidene-6-phenyl-hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H14O3/c13-11(8-4-5-9-12(14)15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,14,15) |
| InChIKey | InChI | 1.03 | AIEMSTCGCMIJTI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCCCC(=O)c1ccccc1 |
| SMILES | CACTVS | 3.385 | OC(=O)CCCCC(=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)C(=O)CCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)C(=O)CCCCC(=O)O |
