Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | COc1c(O)cc(cc1)[C@H]=C(C)C(=O)c2cc(c3c(c2)OCO3)OC |
InChI | InChI | 1.03 | InChI=1S/C19H18O6/c1-11(6-12-4-5-15(22-2)14(20)7-12)18(21)13-8-16(23-3)19-17(9-13)24-10-25-19/h4-9,20H,10H2,1-3H3/b11-6+ |
InChIKey | InChI | 1.03 | IYAYDNORGNGYOF-IZZDOVSWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(\C=C(/C)C(=O)c2cc(OC)c3OCOc3c2)cc1O |
SMILES | CACTVS | 3.385 | COc1ccc(C=C(C)C(=O)c2cc(OC)c3OCOc3c2)cc1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C/C(=C\c1ccc(c(c1)O)OC)/C(=O)c2cc3c(c(c2)OC)OCO3 |
SMILES | OpenEye OEToolkits | 2.0.4 | CC(=Cc1ccc(c(c1)O)OC)C(=O)c2cc3c(c(c2)OC)OCO3 |