A1IQZ
Summary
| Name: | methyl (~{Z})-3-(4-ethynylphenyl)-2-methyl-prop-2-enoate |
| Formula: | C13 H12 O2 |
| Formal charge: | 0 |
| Formula weight: | 200.233 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl (~{Z})-3-(4-ethynylphenyl)-2-methyl-prop-2-enoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H12O2/c1-4-11-5-7-12(8-6-11)9-10(2)13(14)15-3/h1,5-9H,2-3H3/b10-9- |
| InChIKey | InChI | 1.06 | QXZSLVGPGBSCGY-KTKRTIGZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)\C(C)=C/c1ccc(cc1)C#C |
| SMILES | CACTVS | 3.385 | COC(=O)C(C)=Cc1ccc(cc1)C#C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C(=C/c1ccc(cc1)C#C)/C(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=Cc1ccc(cc1)C#C)C(=O)OC |
