Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(O)C2(C(=O)c1c(cccc1)C(=O)C2)C |
InChI | InChI | 1.03 | InChI=1S/C11H10O5S/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13/h2-5H,6H2,1H3,(H,14,15,16)/t11-/m0/s1 |
InChIKey | InChI | 1.03 | WIXFIQKTHUVFDI-NSHDSACASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@]1(CC(=O)c2ccccc2C1=O)[S](O)(=O)=O |
SMILES | CACTVS | 3.385 | C[C]1(CC(=O)c2ccccc2C1=O)[S](O)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@]1(CC(=O)c2ccccc2C1=O)S(=O)(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1(CC(=O)c2ccccc2C1=O)S(=O)(=O)O |