HPX
Summary
| Name: | (2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOIC ACID |
| Formula: | C12 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 218.205 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2Z,4E)-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid |
| OpenEye OEToolkits | 1.5.0 | (2Z,4E)-2-hydroxy-6-oxo-6-phenyl-hexa-2,4-dienoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(\C=C\C=C(/O)C(=O)O)c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C12H10O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-8,14H,(H,15,16)/b7-4+,11-8- |
| InChIKey | InChI | 1.03 | RDRDHXDYMGUCKE-KXBBGWRGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C(/O)=C/C=C/C(=O)c1ccccc1 |
| SMILES | CACTVS | 3.385 | OC(=O)C(O)=CC=CC(=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | c1ccc(cc1)C(=O)/C=C/C=C(/C(=O)O)\O |
| SMILES | OpenEye OEToolkits | 1.7.5 | c1ccc(cc1)C(=O)C=CC=C(C(=O)O)O |
