HPK
Summary
| Name: | (3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE |
| Formula: | C12 H9 O4 |
| Formal charge: | -1 |
| Formula weight: | 217.197 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3E)-2,6-dioxo-6-phenylhex-3-enoate |
| OpenEye OEToolkits | 1.5.0 | (E)-2,6-dioxo-6-phenyl-hex-3-enoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c1ccccc1)C\C=C\C(=O)C([O-])=O |
| SMILES_CANONICAL | CACTVS | 3.341 | [O-]C(=O)C(=O)/C=C/CC(=O)c1ccccc1 |
| SMILES | CACTVS | 3.341 | [O-]C(=O)C(=O)C=CCC(=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(=O)C\C=C\C(=O)C(=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(=O)CC=CC(=O)C(=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C12H10O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-6,8H,7H2,(H,15,16)/p-1/b8-4+ |
| InChIKey | InChI | 1.03 | QPGAZPBFRAAJBD-XBXARRHUSA-M |
