Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(C(C)(C)Oc1ccc(cc1)c3c2ccccc2ccc3)O |
InChI | InChI | 1.03 | InChI=1S/C20H18O3/c1-20(2,19(21)22)23-16-12-10-15(11-13-16)18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,1-2H3,(H,21,22) |
InChIKey | InChI | 1.03 | JTWKEZBNKHBDAW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(Oc1ccc(cc1)c2cccc3ccccc23)C(O)=O |
SMILES | CACTVS | 3.385 | CC(C)(Oc1ccc(cc1)c2cccc3ccccc23)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CC(C)(C(=O)O)Oc1ccc(cc1)c2cccc3c2cccc3 |
SMILES | OpenEye OEToolkits | 2.0.4 | CC(C)(C(=O)O)Oc1ccc(cc1)c2cccc3c2cccc3 |