Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(O)c3ccc2C(=O)c1c(ccc(c1)S(=O)(=O)O)C(=O)c2c3 |
InChI | InChI | 1.03 | InChI=1S/C14H8O8S2/c15-13-9-3-1-7(23(17,18)19)5-11(9)14(16)10-4-2-8(6-12(10)13)24(20,21)22/h1-6H,(H,17,18,19)(H,20,21,22) |
InChIKey | InChI | 1.03 | MSSUFHMGCXOVBZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | O[S](=O)(=O)c1ccc2C(=O)c3cc(ccc3C(=O)c2c1)[S](O)(=O)=O |
SMILES | CACTVS | 3.370 | O[S](=O)(=O)c1ccc2C(=O)c3cc(ccc3C(=O)c2c1)[S](O)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1S(=O)(=O)O)C(=O)c3ccc(cc3C2=O)S(=O)(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1S(=O)(=O)O)C(=O)c3ccc(cc3C2=O)S(=O)(=O)O |