種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | O(c2c(c1cccc(O)c1)c(cc3c2ccc(O)c3)C)c4ccc(O)cc4 |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1cc2cc(O)ccc2c(Oc3ccc(O)cc3)c1c4cccc(O)c4 |
SMILES | CACTVS | 3.341 | Cc1cc2cc(O)ccc2c(Oc3ccc(O)cc3)c1c4cccc(O)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc2cc(ccc2c(c1c3cccc(c3)O)Oc4ccc(cc4)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc2cc(ccc2c(c1c3cccc(c3)O)Oc4ccc(cc4)O)O |
InChI | InChI | 1.03 | InChI=1S/C23H18O4/c1-14-11-16-13-19(26)7-10-21(16)23(27-20-8-5-17(24)6-9-20)22(14)15-3-2-4-18(25)12-15/h2-13,24-26H,1H3 |
InChIKey | InChI | 1.03 | OKUBOIRIRQHVSM-UHFFFAOYSA-N |