Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1c(OCC(=O)O)cc(Cl)cc1)NCc2c(F)cc(I)cc2F |
InChI | InChI | 1.03 | InChI=1S/C16H11ClF2INO4/c17-8-1-2-10(14(3-8)25-7-15(22)23)16(24)21-6-11-12(18)4-9(20)5-13(11)19/h1-5H,6-7H2,(H,21,24)(H,22,23) |
InChIKey | InChI | 1.03 | CVVNVYYIZYRUDK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)COc1cc(Cl)ccc1C(=O)NCc2c(F)cc(I)cc2F |
SMILES | CACTVS | 3.385 | OC(=O)COc1cc(Cl)ccc1C(=O)NCc2c(F)cc(I)cc2F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2F)I)F |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2F)I)F |