Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3c4c1c(c(C)c(o1)S(=O)(=O)O)C(=O)C(=O)c4c2c(C(C)(CCC2)C)c3 |
InChI | InChI | 1.03 | InChI=1S/C19H18O6S/c1-9-13-15(20)16(21)14-10-5-4-8-19(2,3)12(10)7-6-11(14)17(13)25-18(9)26(22,23)24/h6-7H,4-5,8H2,1-3H3,(H,22,23,24) |
InChIKey | InChI | 1.03 | UJCACMLMPLLRGW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(oc2c3ccc4c(CCCC4(C)C)c3C(=O)C(=O)c12)[S](O)(=O)=O |
SMILES | CACTVS | 3.385 | Cc1c(oc2c3ccc4c(CCCC4(C)C)c3C(=O)C(=O)c12)[S](O)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c2c(oc1S(=O)(=O)O)-c3ccc4c(c3C(=O)C2=O)CCCC4(C)C |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c2c(oc1S(=O)(=O)O)-c3ccc4c(c3C(=O)C2=O)CCCC4(C)C |