Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c1cccc(O/C(C(=O)O)=C\C(C)C)c1O |
InChI | InChI | 1.03 | InChI=1S/C13H14O6/c1-7(2)6-10(13(17)18)19-9-5-3-4-8(11(9)14)12(15)16/h3-7,14H,1-2H3,(H,15,16)(H,17,18)/b10-6- |
InChIKey | InChI | 1.03 | JVNCGLFIPFSTSG-POHAHGRESA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)\C=C(/Oc1cccc(C(O)=O)c1O)C(O)=O |
SMILES | CACTVS | 3.370 | CC(C)C=C(Oc1cccc(C(O)=O)c1O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)/C=C(/C(=O)O)\Oc1cccc(c1O)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)C=C(C(=O)O)Oc1cccc(c1O)C(=O)O |