Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)\C=C(\C=C\C=C(\c1cc(cc(c1)C(C)(C)C)C(C)(C)C)C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(/C=C/C=C(\C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)=C\C(O)=O |
SMILES | CACTVS | 3.341 | CC(C=CC=C(C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)=CC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C\C(=C/C(=O)O)\C=C\C=C(/C)\c1cc(cc(c1)C(C)(C)C)C(C)(C)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(=CC(=O)O)C=CC=C(C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C |
InChI | InChI | 1.03 | InChI=1S/C23H32O2/c1-16(12-21(24)25)10-9-11-17(2)18-13-19(22(3,4)5)15-20(14-18)23(6,7)8/h9-15H,1-8H3,(H,24,25)/b10-9+,16-12+,17-11+ |
InChIKey | InChI | 1.03 | JMPZTWDLOGTBPM-OUQSKUGOSA-N |