ME9
Summary
| Name: | 1,1'-butane-1,4-diylbis(1H-pyrrole-2,5-dione) |
| Formula: | C12 H12 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 248.235 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,1'-butane-1,4-diylbis(1H-pyrrole-2,5-dione) |
| OpenEye OEToolkits | 1.7.0 | 1-[4-(2,5-dioxopyrrol-1-yl)butyl]pyrrole-2,5-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C=CC(=O)N1CCCCN2C(=O)C=CC2=O |
| SMILES_CANONICAL | CACTVS | 3.370 | O=C1C=CC(=O)N1CCCCN2C(=O)C=CC2=O |
| SMILES | CACTVS | 3.370 | O=C1C=CC(=O)N1CCCCN2C(=O)C=CC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C1=CC(=O)N(C1=O)CCCCN2C(=O)C=CC2=O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C1=CC(=O)N(C1=O)CCCCN2C(=O)C=CC2=O |
| InChI | InChI | 1.03 | InChI=1S/C12H12N2O4/c15-9-3-4-10(16)13(9)7-1-2-8-14-11(17)5-6-12(14)18/h3-6H,1-2,7-8H2 |
| InChIKey | InChI | 1.03 | WXXSHAKLDCERGU-UHFFFAOYSA-N |
