A1BIJ
Summary
| Name: | 2-hydroxy-3-(3-methylbut-2-en-1-yl)naphthalene-1,4-dione |
| Formula: | C15 H14 O3 |
| Formal charge: | 0 |
| Formula weight: | 242.27 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-hydroxy-3-(3-methylbut-2-en-1-yl)naphthalene-1,4-dione |
| OpenEye OEToolkits | 3.1.0.0 | 2-(3-methylbut-2-enyl)-3-oxidanyl-naphthalene-1,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | C/C(C)=C\CC=1C(=O)c2ccccc2C(=O)C=1O |
| InChI | InChI | 1.06 | InChI=1S/C15H14O3/c1-9(2)7-8-12-13(16)10-5-3-4-6-11(10)14(17)15(12)18/h3-7,18H,8H2,1-2H3 |
| InChIKey | InChI | 1.06 | CIEYTVIYYGTCCI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)=CCC1=C(O)C(=O)c2ccccc2C1=O |
| SMILES | CACTVS | 3.385 | CC(C)=CCC1=C(O)C(=O)c2ccccc2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(=CCC1=C(C(=O)c2ccccc2C1=O)O)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(=CCC1=C(C(=O)c2ccccc2C1=O)O)C |
