Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(Oc1ccc(cc1)c2ccccc2)Cc4ccc(c3ccccc3)cc4 |
InChI | InChI | 1.03 | InChI=1S/C27H22O3/c28-27(29)26(19-20-11-13-23(14-12-20)21-7-3-1-4-8-21)30-25-17-15-24(16-18-25)22-9-5-2-6-10-22/h1-18,26H,19H2,(H,28,29)/t26-/m0/s1 |
InChIKey | InChI | 1.03 | DGMLYRGMJHVKNC-SANMLTNESA-N |
SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)[C@H](Cc1ccc(cc1)c2ccccc2)Oc3ccc(cc3)c4ccccc4 |
SMILES | CACTVS | 3.370 | OC(=O)[CH](Cc1ccc(cc1)c2ccccc2)Oc3ccc(cc3)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2ccc(cc2)C[C@@H](C(=O)O)Oc3ccc(cc3)c4ccccc4 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2ccc(cc2)CC(C(=O)O)Oc3ccc(cc3)c4ccccc4 |