Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OCC)c3ccc(C=2Oc1ccccc1C(=O)C=2)cc3 |
InChI | InChI | 1.03 | InChI=1S/C18H14O4/c1-2-21-18(20)13-9-7-12(8-10-13)17-11-15(19)14-5-3-4-6-16(14)22-17/h3-11H,2H2,1H3 |
InChIKey | InChI | 1.03 | DNBRLXGCVKXLTH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCOC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2 |
SMILES | CACTVS | 3.370 | CCOC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCOC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2 |
SMILES | OpenEye OEToolkits | 1.7.6 | CCOC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2 |