Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccccc1COc1cccc(C(OC)C(=O)O)c1OCc1ccccc1Cl |
InChI | InChI | 1.06 | InChI=1S/C23H20Cl2O5/c1-28-22(23(26)27)17-9-6-12-20(29-13-15-7-2-4-10-18(15)24)21(17)30-14-16-8-3-5-11-19(16)25/h2-12,22H,13-14H2,1H3,(H,26,27)/t22-/m1/s1 |
InChIKey | InChI | 1.06 | CWACAJRSVNPLPE-JOCHJYFZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CO[C@@H](C(O)=O)c1cccc(OCc2ccccc2Cl)c1OCc3ccccc3Cl |
SMILES | CACTVS | 3.385 | CO[CH](C(O)=O)c1cccc(OCc2ccccc2Cl)c1OCc3ccccc3Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CO[C@H](c1cccc(c1OCc2ccccc2Cl)OCc3ccccc3Cl)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | COC(c1cccc(c1OCc2ccccc2Cl)OCc3ccccc3Cl)C(=O)O |