Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C1(C(C(=O)O)(C)C2OC1CC2)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@]1([C@H]2CC[C@H](O2)[C@]1(C)C(O)=O)C(O)=O |
SMILES | CACTVS | 3.341 | C[C]1([CH]2CC[CH](O2)[C]1(C)C(O)=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@]1([C@H]2CC[C@@H]([C@]1(C)C(=O)O)O2)C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1(C2CCC(C1(C)C(=O)O)O2)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C10H14O5/c1-9(7(11)12)5-3-4-6(15-5)10(9,2)8(13)14/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)/t5-,6+,9+,10- |
InChIKey | InChI | 1.03 | NMTNUQBORQILRK-XCVPVQRUSA-N |