Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c1c(cc(OC)c(c1O)C/C=C(\C)C)CCCCC |
InChI | InChI | 1.03 | InChI=1S/C18H26O4/c1-5-6-7-8-13-11-15(22-4)14(10-9-12(2)3)17(19)16(13)18(20)21/h9,11,19H,5-8,10H2,1-4H3,(H,20,21) |
InChIKey | InChI | 1.03 | UJSSSFNGQWZNEN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCc1cc(OC)c(CC=C(C)C)c(O)c1C(O)=O |
SMILES | CACTVS | 3.385 | CCCCCc1cc(OC)c(CC=C(C)C)c(O)c1C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCCCc1cc(c(c(c1C(=O)O)O)CC=C(C)C)OC |
SMILES | OpenEye OEToolkits | 1.9.2 | CCCCCc1cc(c(c(c1C(=O)O)O)CC=C(C)C)OC |