Q5W
Summary
| Name: | methyl (~{Z})-3-(6-ethynylnaphthalen-2-yl)-2-methyl-prop-2-enoate |
| Formula: | C17 H14 O2 |
| Formal charge: | 0 |
| Formula weight: | 250.292 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl (~{Z})-3-(6-ethynylnaphthalen-2-yl)-2-methyl-prop-2-enoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H14O2/c1-4-13-5-7-16-11-14(6-8-15(16)10-13)9-12(2)17(18)19-3/h1,5-11H,2-3H3/b12-9- |
| InChIKey | InChI | 1.03 | RTMGYPGQEZWRAY-XFXZXTDPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)\C(C)=C/c1ccc2cc(ccc2c1)C#C |
| SMILES | CACTVS | 3.385 | COC(=O)C(C)=Cc1ccc2cc(ccc2c1)C#C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C(=C/c1ccc2cc(ccc2c1)C#C)/C(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=Cc1ccc2cc(ccc2c1)C#C)C(=O)OC |
