XXC
Summary
| Name: | 7-phenylheptanoic acid |
| Formula: | C13 H18 O2 |
| Formal charge: | 0 |
| Formula weight: | 206.281 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-phenylheptanoic acid |
| OpenEye OEToolkits | 1.7.6 | 7-phenylheptanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCCCCCc1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C13H18O2/c14-13(15)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2,(H,14,15) |
| InChIKey | InChI | 1.03 | ZVSXKFNTWOIGJI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCCCCCc1ccccc1 |
| SMILES | CACTVS | 3.385 | OC(=O)CCCCCCc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CCCCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CCCCCCC(=O)O |
