U3T
Summary
| Name: | 6-(2-prop-2-ynoxyphenyl)hexanoic acid |
| Synonyms: | Benzenehexanoic acid, 2-(2-propyn-1-yloxy)- 6-{2-[(Prop-2-yn-1-yl)oxy]phenyl}hexanoic acid |
| Formula: | C15 H18 O3 |
| Formal charge: | 0 |
| Formula weight: | 246.302 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-(2-prop-2-ynoxyphenyl)hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H18O3/c1-2-12-18-14-10-7-6-9-13(14)8-4-3-5-11-15(16)17/h1,6-7,9-10H,3-5,8,11-12H2,(H,16,17) |
| InChIKey | InChI | 1.03 | CUNYTKVXYZYERK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCCCCc1ccccc1OCC#C |
| SMILES | CACTVS | 3.385 | OC(=O)CCCCCc1ccccc1OCC#C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C#CCOc1ccccc1CCCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C#CCOc1ccccc1CCCCCC(=O)O |
