Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c(O)cc(cc1\C=C\CCCC(=O)CCCC(O)C)O |
InChI | InChI | 1.03 | InChI=1S/C17H24O4/c1-13(18)6-5-9-15(19)8-4-2-3-7-14-10-16(20)12-17(21)11-14/h3,7,10-13,18,20-21H,2,4-6,8-9H2,1H3/b7-3+/t13-/m0/s1 |
InChIKey | InChI | 1.03 | TVXRLKRGDWQGQV-MXPWBENCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](O)CCCC(=O)CCC\C=C\c1cc(O)cc(O)c1 |
SMILES | CACTVS | 3.385 | C[CH](O)CCCC(=O)CCCC=Cc1cc(O)cc(O)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@@H](CCCC(=O)CCC/C=C/c1cc(cc(c1)O)O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | CC(CCCC(=O)CCCC=Cc1cc(cc(c1)O)O)O |