Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)Cc3c(O)c2C(=O)c1c(O)cccc1Cc2cc3 |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)Cc1ccc2Cc3cccc(O)c3C(=O)c2c1O |
SMILES | CACTVS | 3.341 | OC(=O)Cc1ccc2Cc3cccc(O)c3C(=O)c2c1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(c(c1)O)C(=O)c3c(ccc(c3O)CC(=O)O)C2 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(c(c1)O)C(=O)c3c(ccc(c3O)CC(=O)O)C2 |
InChI | InChI | 1.03 | InChI=1S/C16H12O5/c17-11-3-1-2-8-6-9-4-5-10(7-12(18)19)15(20)14(9)16(21)13(8)11/h1-5,17,20H,6-7H2,(H,18,19) |
InChIKey | InChI | 1.03 | IXLRLZOYKJERRA-UHFFFAOYSA-N |