Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1ccc(cc1)CCC(\c2ccccc2)=C\C(=O)O |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)\C=C(CCc1ccc(Cl)cc1)/c2ccccc2 |
SMILES | CACTVS | 3.341 | OC(=O)C=C(CCc1ccc(Cl)cc1)c2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)/C(=C\C(=O)O)/CCc2ccc(cc2)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(=CC(=O)O)CCc2ccc(cc2)Cl |
InChI | InChI | 1.03 | InChI=1S/C17H15ClO2/c18-16-10-7-13(8-11-16)6-9-15(12-17(19)20)14-4-2-1-3-5-14/h1-5,7-8,10-12H,6,9H2,(H,19,20)/b15-12- |
InChIKey | InChI | 1.03 | LLJYFDRQFPQGNY-QINSGFPZSA-N |