Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc2cc(Br)c1C(CP(=O)(O)O)=CC(=O)Oc1c2 |
InChI | InChI | 1.03 | InChI=1S/C11H10BrO5P/c1-6-2-8(12)11-7(5-18(14,15)16)4-10(13)17-9(11)3-6/h2-4H,5H2,1H3,(H2,14,15,16) |
InChIKey | InChI | 1.03 | AVDUOTYJUPESMO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(Br)c2C(=CC(=O)Oc2c1)C[P](O)(O)=O |
SMILES | CACTVS | 3.385 | Cc1cc(Br)c2C(=CC(=O)Oc2c1)C[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc2c(c(c1)Br)C(=CC(=O)O2)CP(=O)(O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc2c(c(c1)Br)C(=CC(=O)O2)CP(=O)(O)O |