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=C2/c1cc(ccc1CCC2)C)C)C |
InChI | InChI | 1.03 | InChI=1S/C21H24O2/c1-15(6-4-7-16(2)14-21(22)23)12-19-9-5-8-18-11-10-17(3)13-20(18)19/h4,6-7,10-14H,5,8-9H2,1-3H3,(H,22,23)/b7-4+,15-6-,16-14+,19-12+ |
InChIKey | InChI | 1.03 | TZMKYYXLMOFFMM-NDMWHMLYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(/C=C/C=C(C)\C=C1/CCCc2ccc(C)cc12)=C\C(O)=O |
SMILES | CACTVS | 3.385 | CC(C=CC=C(C)C=C1CCCc2ccc(C)cc12)=CC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccc2c(c1)/C(=C/C(=C\C=C\C(=C\C(=O)O)\C)/C)/CCC2 |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccc2c(c1)C(=CC(=CC=CC(=CC(=O)O)C)C)CCC2 |