Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(/C(c1c(C)ccc(c1)C2CC2)=O)=C(\C(O)=O)O |
InChI | InChI | 1.03 | InChI=1S/C14H14O4/c1-8-2-3-10(9-4-5-9)6-11(8)12(15)7-13(16)14(17)18/h2-3,6-7,9,16H,4-5H2,1H3,(H,17,18)/b13-7- |
InChIKey | InChI | 1.03 | ATXCBLFFUXEDGX-QPEQYQDCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1C(=O)/C=C(O)/C(O)=O)C2CC2 |
SMILES | CACTVS | 3.385 | Cc1ccc(cc1C(=O)C=C(O)C(O)=O)C2CC2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1C(=O)/C=C(/C(=O)O)\O)C2CC2 |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1C(=O)C=C(C(=O)O)O)C2CC2 |