EJV
Summary
| Name: | 4-heptylbenzoic acid |
| Formula: | C14 H20 O2 |
| Formal charge: | 0 |
| Formula weight: | 220.307 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-heptylbenzoic acid |
| OpenEye OEToolkits | 2.0.6 | 4-heptylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cc(ccc1C(O)=O)CCCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C14H20O2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-7H2,1H3,(H,15,16) |
| InChIKey | InChI | 1.03 | VSUKEWPHURLYTK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCc1ccc(cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCCc1ccc(cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCCCCc1ccc(cc1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCCCCCc1ccc(cc1)C(=O)O |
