Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(c(Cl)cc(cc1Cl)CO)Oc2ccc(c(c2)C(C)C)OC |
InChI | InChI | 1.03 | InChI=1S/C17H18Cl2O3/c1-10(2)13-8-12(4-5-16(13)21-3)22-17-14(18)6-11(9-20)7-15(17)19/h4-8,10,20H,9H2,1-3H3 |
InChIKey | InChI | 1.03 | YJBUGSRJCVSLKC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Oc2c(Cl)cc(CO)cc2Cl)cc1C(C)C |
SMILES | CACTVS | 3.385 | COc1ccc(Oc2c(Cl)cc(CO)cc2Cl)cc1C(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)c1cc(ccc1OC)Oc2c(cc(cc2Cl)CO)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)c1cc(ccc1OC)Oc2c(cc(cc2Cl)CO)Cl |