Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(Cc2c1ccccc1ccc2)Cc4cccc3ccccc34 |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C(Cc1cccc2ccccc12)Cc3cccc4ccccc34 |
SMILES | CACTVS | 3.341 | OC(=O)C(Cc1cccc2ccccc12)Cc3cccc4ccccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)cccc2CC(Cc3cccc4c3cccc4)C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)cccc2CC(Cc3cccc4c3cccc4)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C24H20O2/c25-24(26)21(15-19-11-5-9-17-7-1-3-13-22(17)19)16-20-12-6-10-18-8-2-4-14-23(18)20/h1-14,21H,15-16H2,(H,25,26) |
InChIKey | InChI | 1.03 | RMTCEQSLPGEKAH-UHFFFAOYSA-N |