Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C24H28O3/c1-23(2,3)19-13-18(14-20(15-19)24(4,5)6)21(25)12-9-16-7-10-17(11-8-16)22(26)27/h7-15H,1-6H3,(H,26,27)/b12-9+ |
InChIKey | InChI | 1.03 | FOUVTBKPJRMLPE-FMIVXFBMSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)\C=C\c2ccc(cc2)C(O)=O |
SMILES | CACTVS | 3.385 | CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)C=Cc2ccc(cc2)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)/C=C/c2ccc(cc2)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)C=Cc2ccc(cc2)C(=O)O |