A1B90
Summary
| Name: | icosanedioic acid |
| Formula: | C20 H38 O4 |
| Formal charge: | 0 |
| Formula weight: | 342.513 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | icosanedioic acid |
| OpenEye OEToolkits | 3.1.0.0 | icosanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(O)CCCCCCCCCCCCCCCCCCC(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C20H38O4/c21-19(22)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)24/h1-18H2,(H,21,22)(H,23,24) |
| InChIKey | InChI | 1.06 | JJOJFIHJIRWASH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCCCCCCCCCCCCCCCCCC(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)CCCCCCCCCCCCCCCCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C(CCCCCCCCCC(=O)O)CCCCCCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C(CCCCCCCCCC(=O)O)CCCCCCCCC(=O)O |
