Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)c1ccccc1C3c4c(Oc2c3ccc(O)c2)cc(O)cc4 |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1ccccc1[C@@H]2c3ccc(O)cc3Oc4cc(O)ccc24 |
SMILES | CACTVS | 3.341 | OC(=O)c1ccccc1[CH]2c3ccc(O)cc3Oc4cc(O)ccc24 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)C2c3ccc(cc3Oc4c2ccc(c4)O)O)C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)C2c3ccc(cc3Oc4c2ccc(c4)O)O)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C20H14O5/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24/h1-10,19,21-22H,(H,23,24) |
InChIKey | InChI | 1.03 | MURGITYSBWUQTI-UHFFFAOYSA-N |