種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c1(ccc(cc1)COc2c(cccc2)\C=C4/C(c3c(cccc3)C4=O)=O)C(O)=O |
InChI | InChI | 1.03 | InChI=1S/C24H16O5/c25-22-18-6-2-3-7-19(18)23(26)20(22)13-17-5-1-4-8-21(17)29-14-15-9-11-16(12-10-15)24(27)28/h1-13H,14H2,(H,27,28) |
InChIKey | InChI | 1.03 | NRIDPHPNVUPLOD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(COc2ccccc2C=C3C(=O)c4ccccc4C3=O)cc1 |
SMILES | CACTVS | 3.385 | OC(=O)c1ccc(COc2ccccc2C=C3C(=O)c4ccccc4C3=O)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C=C2C(=O)c3ccccc3C2=O)OCc4ccc(cc4)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C=C2C(=O)c3ccccc3C2=O)OCc4ccc(cc4)C(=O)O |