Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1c3c(OC(O)C1c2ccc(O)cc2)cc(O)cc3 |
SMILES_CANONICAL | CACTVS | 3.341 | O[C@H]1Oc2cc(O)ccc2C(=O)[C@@H]1c3ccc(O)cc3 |
SMILES | CACTVS | 3.341 | O[CH]1Oc2cc(O)ccc2C(=O)[CH]1c3ccc(O)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1[C@@H]2[C@H](Oc3cc(ccc3C2=O)O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C2C(Oc3cc(ccc3C2=O)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-14(18)11-6-5-10(17)7-12(11)20-15(13)19/h1-7,13,15-17,19H/t13-,15-/m0/s1 |
InChIKey | InChI | 1.03 | YACUBWOKTPOMNW-ZFWWWQNUSA-N |