RS7
Summary
| Name: | (2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID |
| Formula: | C17 H20 O2 |
| Formal charge: | 0 |
| Formula weight: | 256.339 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2E)-3-(2-oct-1-yn-1-ylphenyl)prop-2-enoic acid |
| OpenEye OEToolkits | 1.5.0 | (E)-3-(2-oct-1-ynylphenyl)prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)\C=C\c1ccccc1C#CCCCCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCC#Cc1ccccc1/C=C/C(O)=O |
| SMILES | CACTVS | 3.341 | CCCCCCC#Cc1ccccc1C=CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCC#Cc1ccccc1\C=C\C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCC#Cc1ccccc1C=CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C17H20O2/c1-2-3-4-5-6-7-10-15-11-8-9-12-16(15)13-14-17(18)19/h8-9,11-14H,2-6H2,1H3,(H,18,19)/b14-13+ |
| InChIKey | InChI | 1.03 | KRDSGPLHVQJFLM-BUHFOSPRSA-N |
