Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)\C=C/c1c(O)cc(OC)c(c1)C(O)CC(C)C |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cc(O)c(\C=C/C(O)=O)cc1[C@@H](O)CC(C)C |
SMILES | CACTVS | 3.370 | COc1cc(O)c(C=CC(O)=O)cc1[CH](O)CC(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)C[C@@H](c1cc(c(cc1OC)O)/C=C\C(=O)O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)CC(c1cc(c(cc1OC)O)C=CC(=O)O)O |
InChI | InChI | 1.03 | InChI=1S/C15H20O5/c1-9(2)6-13(17)11-7-10(4-5-15(18)19)12(16)8-14(11)20-3/h4-5,7-9,13,16-17H,6H2,1-3H3,(H,18,19)/b5-4-/t13-/m0/s1 |
InChIKey | InChI | 1.03 | KXEZMFMTEVLUPQ-ZFDPJTLLSA-N |