DB7
Summary
| Name: | dibutyl benzene-1,2-dicarboxylate |
| Synonyms: | Dibutyl phthalate |
| Formula: | C16 H22 O4 |
| Formal charge: | 0 |
| Formula weight: | 278.343 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | dibutyl benzene-1,2-dicarboxylate |
| OpenEye OEToolkits | 1.7.6 | dibutyl benzene-1,2-dicarboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCCCC)c1ccccc1C(=O)OCCCC |
| InChI | InChI | 1.03 | InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3 |
| InChIKey | InChI | 1.03 | DOIRQSBPFJWKBE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCCOC(=O)c1ccccc1C(=O)OCCCC |
| SMILES | CACTVS | 3.370 | CCCCOC(=O)c1ccccc1C(=O)OCCCC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCOC(=O)c1ccccc1C(=O)OCCCC |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCOC(=O)c1ccccc1C(=O)OCCCC |
