Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c2cc1ccccc1cc2)C(c4cccc3ccccc34)P(=O)(O)O |
SMILES_CANONICAL | CACTVS | 3.341 | O[P](O)(=O)[C@@H](C(=O)c1ccc2ccccc2c1)c3cccc4ccccc34 |
SMILES | CACTVS | 3.341 | O[P](O)(=O)[CH](C(=O)c1ccc2ccccc2c1)c3cccc4ccccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2cc(ccc2c1)C(=O)[C@@H](c3cccc4c3cccc4)P(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2cc(ccc2c1)C(=O)C(c3cccc4c3cccc4)P(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C22H17O4P/c23-21(18-13-12-15-6-1-2-8-17(15)14-18)22(27(24,25)26)20-11-5-9-16-7-3-4-10-19(16)20/h1-14,22H,(H2,24,25,26)/t22-/m1/s1 |
InChIKey | InChI | 1.03 | OFHMUASCSJJNNA-JOCHJYFZSA-N |