A1AT0
Summary
| Name: | anisindione |
| Synonyms: | 2-(4-methoxyphenyl)-1H-indene-1,3(2H)-dione |
| Formula: | C16 H12 O3 |
| Formal charge: | 0 |
| Formula weight: | 252.265 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-(4-methoxyphenyl)-1H-indene-1,3(2H)-dione |
| OpenEye OEToolkits | 3.1.0.0 | 2-(4-methoxyphenyl)indene-1,3-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | COc1ccc(cc1)C1C(=O)c2ccccc2C1=O |
| InChI | InChI | 1.06 | InChI=1S/C16H12O3/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9,14H,1H3 |
| InChIKey | InChI | 1.06 | XRCFXMGQEVUZFC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)C2C(=O)c3ccccc3C2=O |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)C2C(=O)c3ccccc3C2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COc1ccc(cc1)C2C(=O)c3ccccc3C2=O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COc1ccc(cc1)C2C(=O)c3ccccc3C2=O |
