種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | C1/C(Cc2c1cccc2)=C(/c3ccc(cc3)O)c4ccc(cc4)O |
InChI | InChI | 1.03 | InChI=1S/C22H18O2/c23-20-9-5-15(6-10-20)22(16-7-11-21(24)12-8-16)19-13-17-3-1-2-4-18(17)14-19/h1-12,23-24H,13-14H2 |
InChIKey | InChI | 1.03 | GYIQBNATKDEJGJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1)C(=C2Cc3ccccc3C2)c4ccc(O)cc4 |
SMILES | CACTVS | 3.385 | Oc1ccc(cc1)C(=C2Cc3ccccc3C2)c4ccc(O)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)CC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)CC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2 |