種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(O)\C=C(\C=C\C=C(\C=C\c1c(cc(O)c(c1C)C)C)C)C |
InChI | InChI | 1.03 | InChI=1S/C20H24O3/c1-13(7-6-8-14(2)11-20(22)23)9-10-18-15(3)12-19(21)17(5)16(18)4/h6-12,21H,1-5H3,(H,22,23)/b8-6+,10-9+,13-7+,14-11+ |
InChIKey | InChI | 1.03 | CAAFTBWHFUPDGX-OFCLTBKTSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC(=C/C=C/C(C)=C/C(O)=O)\C=C\c1c(C)cc(O)c(C)c1C |
SMILES | CACTVS | 3.370 | CC(=CC=CC(C)=CC(O)=O)C=Cc1c(C)cc(O)c(C)c1C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1cc(c(c(c1/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C)C)C)O |
SMILES | OpenEye OEToolkits | 1.7.2 | Cc1cc(c(c(c1C=CC(=CC=CC(=CC(=O)O)C)C)C)C)O |