Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | COc1c(O)cc(cc1)C=3Oc2cc(O)cc(c2C(C=3)=O)O |
InChI | InChI | 1.03 | InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3 |
InChIKey | InChI | 1.03 | MBNGWHIJMBWFHU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1O)C2=CC(=O)c3c(O)cc(O)cc3O2 |
SMILES | CACTVS | 3.385 | COc1ccc(cc1O)C2=CC(=O)c3c(O)cc(O)cc3O2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1O)C2=CC(=O)c3c(cc(cc3O2)O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1O)C2=CC(=O)c3c(cc(cc3O2)O)O |