27G
Summary
| Name: | benzyl butyl benzene-1,2-dicarboxylate |
| Formula: | C19 H20 O4 |
| Formal charge: | 0 |
| Formula weight: | 312.36 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | benzyl butyl benzene-1,2-dicarboxylate |
| OpenEye OEToolkits | 1.7.6 | O1-butyl O2-(phenylmethyl) benzene-1,2-dicarboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC |
| InChI | InChI | 1.03 | InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3 |
| InChIKey | InChI | 1.03 | IRIAEXORFWYRCZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2 |
| SMILES | CACTVS | 3.385 | CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2 |
