KRA
Summary
| Name: | KURASOIN A |
| Synonyms: | 1-(4-HYDROXY-PHENYL)-4-PHENYL-BUTANE-2,3-DIONE |
| Formula: | C16 H14 O3 |
| Formal charge: | 0 |
| Formula weight: | 254.281 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-(4-hydroxyphenyl)-4-phenylbutane-2,3-dione |
| OpenEye OEToolkits | 1.5.0 | 1-(4-hydroxyphenyl)-4-phenyl-butane-2,3-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(C(=O)Cc1ccc(O)cc1)Cc2ccccc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1ccc(CC(=O)C(=O)Cc2ccccc2)cc1 |
| SMILES | CACTVS | 3.341 | Oc1ccc(CC(=O)C(=O)Cc2ccccc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC(=O)C(=O)Cc2ccc(cc2)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC(=O)C(=O)Cc2ccc(cc2)O |
| InChI | InChI | 1.03 | InChI=1S/C16H14O3/c17-14-8-6-13(7-9-14)11-16(19)15(18)10-12-4-2-1-3-5-12/h1-9,17H,10-11H2 |
| InChIKey | InChI | 1.03 | PJJNUMKZYDTVRG-UHFFFAOYSA-N |
