Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(O)c3ccc2C(=O)c1c(cccc1)C(=O)c2c3 |
InChI | InChI | 1.03 | InChI=1S/C14H8O5S/c15-13-9-3-1-2-4-10(9)14(16)12-7-8(20(17,18)19)5-6-11(12)13/h1-7H,(H,17,18,19) |
InChIKey | InChI | 1.03 | MMNWSHJJPDXKCH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | O[S](=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1 |
SMILES | CACTVS | 3.370 | O[S](=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)S(=O)(=O)O |
SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)S(=O)(=O)O |