Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Oc1ccc2c(c1)ccc(C(P(O)(O)=O)P(O)(=O)O)c2 |
InChI | InChI | 1.03 | InChI=1S/C11H12O7P2/c12-10-4-3-7-5-9(2-1-8(7)6-10)11(19(13,14)15)20(16,17)18/h1-6,11-12H,(H2,13,14,15)(H2,16,17,18) |
InChIKey | InChI | 1.03 | KBQHMDQNDJAVLF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc2cc(ccc2c1)C([P](O)(O)=O)[P](O)(O)=O |
SMILES | CACTVS | 3.385 | Oc1ccc2cc(ccc2c1)C([P](O)(O)=O)[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc2c1cc(cc2)O)C(P(=O)(O)O)P(=O)(O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc2c1cc(cc2)O)C(P(=O)(O)O)P(=O)(O)O |