Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Brc1ccc(cc1)P(=O)(O)CC(C(=O)O)Cc4onc(c3ccc(c2cccc(Cl)c2)cc3)c4 |
InChI | InChI | 1.03 | InChI=1S/C25H20BrClNO5P/c26-20-8-10-23(11-9-20)34(31,32)15-19(25(29)30)13-22-14-24(28-33-22)17-6-4-16(5-7-17)18-2-1-3-21(27)12-18/h1-12,14,19H,13,15H2,(H,29,30)(H,31,32)/t19-/m1/s1 |
InChIKey | InChI | 1.03 | FPDHTOQZULOEJD-LJQANCHMSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)[C@H](Cc1onc(c1)c2ccc(cc2)c3cccc(Cl)c3)C[P](O)(=O)c4ccc(Br)cc4 |
SMILES | CACTVS | 3.370 | OC(=O)[CH](Cc1onc(c1)c2ccc(cc2)c3cccc(Cl)c3)C[P](O)(=O)c4ccc(Br)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)C[C@H](CP(=O)(c4ccc(cc4)Br)O)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)CC(CP(=O)(c4ccc(cc4)Br)O)C(=O)O |