Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1c3c(OC(=C1O)c2ccc(O)c(O)c2)cc(O)cc3 |
SMILES_CANONICAL | CACTVS | 3.370 | Oc1ccc2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O |
SMILES | CACTVS | 3.370 | Oc1ccc2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1C2=C(C(=O)c3ccc(cc3O2)O)O)O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1C2=C(C(=O)c3ccc(cc3O2)O)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H |
InChIKey | InChI | 1.03 | XHEFDIBZLJXQHF-UHFFFAOYSA-N |