Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)c1cc2c(cc1)C4(OC2=O)c5ccc(O)cc5Oc3cc(O)ccc34 |
SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)c1ccc2c(c1)C(=O)O[C@@]23c4ccc(O)cc4Oc5cc(O)ccc35 |
SMILES | CACTVS | 3.352 | OC(=O)c1ccc2c(c1)C(=O)O[C]23c4ccc(O)cc4Oc5cc(O)ccc35 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1cc2c(cc1C(=O)O)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O |
SMILES | OpenEye OEToolkits | 1.6.1 | c1cc2c(cc1C(=O)O)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O |
InChI | InChI | 1.03 | InChI=1S/C21H12O7/c22-11-2-5-15-17(8-11)27-18-9-12(23)3-6-16(18)21(15)14-4-1-10(19(24)25)7-13(14)20(26)28-21/h1-9,22-23H,(H,24,25) |
InChIKey | InChI | 1.03 | NJYVEMPWNAYQQN-UHFFFAOYSA-N |