Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(O)c1c(cc(cc1C(C)C)C(C)C)C(C)C |
InChI | InChI | 1.03 | InChI=1S/C15H24O3S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,16,17,18) |
InChIKey | InChI | 1.03 | YHGKEORTCHVBQH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1cc(C(C)C)c(c(c1)C(C)C)[S](O)(=O)=O |
SMILES | CACTVS | 3.385 | CC(C)c1cc(C(C)C)c(c(c1)C(C)C)[S](O)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)c1cc(c(c(c1)C(C)C)S(=O)(=O)O)C(C)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)c1cc(c(c(c1)C(C)C)S(=O)(=O)O)C(C)C |