Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C3Oc2cc1OC(Cc1cc2C=C3C(\C=C)(C)C)C(O)(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)(O)[C@@H]1Cc2cc3C=C(C(=O)Oc3cc2O1)C(C)(C)C=C |
SMILES | CACTVS | 3.341 | CC(C)(O)[CH]1Cc2cc3C=C(C(=O)Oc3cc2O1)C(C)(C)C=C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)(C=C)C1=Cc2cc3c(cc2OC1=O)O[C@@H](C3)C(C)(C)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(C=C)C1=Cc2cc3c(cc2OC1=O)OC(C3)C(C)(C)O |
InChI | InChI | 1.03 | InChI=1S/C19H22O4/c1-6-18(2,3)13-8-11-7-12-9-16(19(4,5)21)22-14(12)10-15(11)23-17(13)20/h6-8,10,16,21H,1,9H2,2-5H3/t16-/m0/s1 |
InChIKey | InChI | 1.03 | JCDLLLXYAICSQV-INIZCTEOSA-N |