Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1c3c(OC(=C1)c2ccc(O)c(O)c2)cc(O)cc3O |
InChI | InChI | 1.03 | InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H |
InChIKey | InChI | 1.03 | IQPNAANSBPBGFQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(O)c(O)c3 |
SMILES | CACTVS | 3.370 | Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(O)c(O)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O |