Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1c(O)ccc(c1)C4(OC(=O)c2c3c(ccc2)cccc34)c5ccc(O)c(Cl)c5 |
SMILES_CANONICAL | CACTVS | 3.341 | Oc1ccc(cc1Cl)C2(OC(=O)c3cccc4cccc2c34)c5ccc(O)c(Cl)c5 |
SMILES | CACTVS | 3.341 | Oc1ccc(cc1Cl)C2(OC(=O)c3cccc4cccc2c34)c5ccc(O)c(Cl)c5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2cccc3c2c(c1)C(=O)OC3(c4ccc(c(c4)Cl)O)c5ccc(c(c5)Cl)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2cccc3c2c(c1)C(=O)OC3(c4ccc(c(c4)Cl)O)c5ccc(c(c5)Cl)O |
InChI | InChI | 1.03 | InChI=1S/C24H14Cl2O4/c25-18-11-14(7-9-20(18)27)24(15-8-10-21(28)19(26)12-15)17-6-2-4-13-3-1-5-16(22(13)17)23(29)30-24/h1-12,27-28H |
InChIKey | InChI | 1.03 | HCQHFJBXXMFZHF-UHFFFAOYSA-N |