Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(c3c(cc2OC(C=Cc12)=O)occ3)OC\C=C(/C)CC/C=C(\C)C |
InChI | InChI | 1.03 | InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+ |
InChIKey | InChI | 1.03 | DBMJZOMNXBSRED-OQLLNIDSSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)=CCCC(/C)=C/COc1c2ccoc2cc3OC(=O)C=Cc13 |
SMILES | CACTVS | 3.385 | CC(C)=CCCC(C)=CCOc1c2ccoc2cc3OC(=O)C=Cc13 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=CCC/C(=C/COc1c2ccoc2cc3c1C=CC(=O)O3)/C)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(=CCCC(=CCOc1c2ccoc2cc3c1C=CC(=O)O3)C)C |