Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3(O)c(Oc1c(Cl)cc(cc1)Cl)ccc(CC2CCCCC2)c3 |
InChI | InChI | 1.03 | InChI=1S/C19H20Cl2O2/c20-15-7-9-18(16(21)12-15)23-19-8-6-14(11-17(19)22)10-13-4-2-1-3-5-13/h6-9,11-13,22H,1-5,10H2 |
InChIKey | InChI | 1.03 | AUJNRGORQMIJCP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(CC2CCCCC2)ccc1Oc3ccc(Cl)cc3Cl |
SMILES | CACTVS | 3.385 | Oc1cc(CC2CCCCC2)ccc1Oc3ccc(Cl)cc3Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1CC2CCCCC2)O)Oc3ccc(cc3Cl)Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1CC2CCCCC2)O)Oc3ccc(cc3Cl)Cl |