Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2C(\c1ccccc1C2)=C\c3ccc4OCOc4c3C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C18H12O5/c19-14-8-10-3-1-2-4-12(10)13(14)7-11-5-6-15-17(23-9-22-15)16(11)18(20)21/h1-7H,8-9H2,(H,20,21)/b13-7+ |
InChIKey | InChI | 1.03 | WRNAEMYUELGDPO-NTUHNPAUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1c2OCOc2ccc1\C=C/3C(=O)Cc4ccccc/34 |
SMILES | CACTVS | 3.385 | OC(=O)c1c2OCOc2ccc1C=C3C(=O)Cc4ccccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc\2c(c1)CC(=O)/C2=C/c3ccc4c(c3C(=O)O)OCO4 |
SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)CC(=O)C2=Cc3ccc4c(c3C(=O)O)OCO4 |