Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2c(cc1c(c(CC(O)=O)co1)c2)Oc3cc(OC)ccc3 |
InChI | InChI | 1.03 | InChI=1S/C17H14O5/c1-20-12-3-2-4-13(8-12)22-14-5-6-15-11(7-17(18)19)10-21-16(15)9-14/h2-6,8-10H,7H2,1H3,(H,18,19) |
InChIKey | InChI | 1.03 | UOSYUXUYPKFRGA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(Oc2ccc3c(CC(O)=O)coc3c2)c1 |
SMILES | CACTVS | 3.385 | COc1cccc(Oc2ccc3c(CC(O)=O)coc3c2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)Oc2ccc3c(c2)occ3CC(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)Oc2ccc3c(c2)occ3CC(=O)O |