Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2(Cc1ccccc1)ccc(NC(P(O)(O)=O)P(O)(=O)O)cc2 |
InChI | InChI | 1.03 | InChI=1S/C14H17NO6P2/c16-22(17,18)14(23(19,20)21)15-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9,14-15H,10H2,(H2,16,17,18)(H2,19,20,21) |
InChIKey | InChI | 1.03 | UUWAWXLKQDUPIO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[P](O)(=O)C(Nc1ccc(Cc2ccccc2)cc1)[P](O)(O)=O |
SMILES | CACTVS | 3.385 | O[P](O)(=O)C(Nc1ccc(Cc2ccccc2)cc1)[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)Cc2ccc(cc2)NC(P(=O)(O)O)P(=O)(O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)Cc2ccc(cc2)NC(P(=O)(O)O)P(=O)(O)O |