Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(Oc1ccc(cc1)Cc2ccccc2)Cc3ccccc3 |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)[C@H](Cc1ccccc1)Oc2ccc(Cc3ccccc3)cc2 |
SMILES | CACTVS | 3.341 | OC(=O)[CH](Cc1ccccc1)Oc2ccc(Cc3ccccc3)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Cc2ccc(cc2)O[C@@H](Cc3ccccc3)C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Cc2ccc(cc2)OC(Cc3ccccc3)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C22H20O3/c23-22(24)21(16-18-9-5-2-6-10-18)25-20-13-11-19(12-14-20)15-17-7-3-1-4-8-17/h1-14,21H,15-16H2,(H,23,24)/t21-/m0/s1 |
InChIKey | InChI | 1.03 | YVAQXSJDDQRTTP-NRFANRHFSA-N |