種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C1C(=C(O)C(=O)C(=C1O)c2ccccc2)c3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C18H12O4/c19-15-13(11-7-3-1-4-8-11)16(20)18(22)14(17(15)21)12-9-5-2-6-10-12/h1-10,19,22H |
InChIKey | InChI | 1.03 | HZKFHDXTSAYOSN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC1=C(C(=O)C(=C(C1=O)c2ccccc2)O)c3ccccc3 |
SMILES | CACTVS | 3.385 | OC1=C(C(=O)C(=C(C1=O)c2ccccc2)O)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C2=C(C(=O)C(=C(C2=O)O)c3ccccc3)O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C2=C(C(=O)C(=C(C2=O)O)c3ccccc3)O |