AI7
Summary
| Name: | 3-(heptyloxy)benzoic acid |
| Synonyms: | 3-heptyloxybenzoate |
| Formula: | C14 H20 O3 |
| Formal charge: | 0 |
| Formula weight: | 236.307 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(heptyloxy)benzoic acid |
| OpenEye OEToolkits | 1.5.0 | 3-heptoxybenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c1cc(OCCCCCCC)ccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCOc1cccc(c1)C(O)=O |
| SMILES | CACTVS | 3.341 | CCCCCCCOc1cccc(c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCOc1cccc(c1)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCOc1cccc(c1)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H20O3/c1-2-3-4-5-6-10-17-13-9-7-8-12(11-13)14(15)16/h7-9,11H,2-6,10H2,1H3,(H,15,16) |
| InChIKey | InChI | 1.03 | FOFZVIUYGPBWLV-UHFFFAOYSA-N |
