Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3c(c2C(C(=C(c1cc(c(O)cc1)O)Oc2cc3OC)O)=O)O |
InChI | InChI | 1.03 | InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3 |
InChIKey | InChI | 1.03 | JGUZGNYPMHHYRK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O |
SMILES | CACTVS | 3.385 | COc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1cc(c2c(c1)OC(=C(C2=O)O)c3ccc(c(c3)O)O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1cc(c2c(c1)OC(=C(C2=O)O)c3ccc(c(c3)O)O)O |