Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Oc1cc(cc(O)c1O)c3[o+]c2cc(O)cc(O)c2cc3O |
InChI | InChI | 1.03 | InChI=1S/C15H10O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-5H,(H5-,16,17,18,19,20,21)/p+1 |
InChIKey | InChI | 1.03 | JKHRCGUTYDNCLE-UHFFFAOYSA-O |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(O)c2cc(O)c([o+]c2c1)c3cc(O)c(O)c(O)c3 |
SMILES | CACTVS | 3.385 | Oc1cc(O)c2cc(O)c([o+]c2c1)c3cc(O)c(O)c(O)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c(cc(c(c1O)O)O)c2c(cc3c(cc(cc3[o+]2)O)O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1c(cc(c(c1O)O)O)c2c(cc3c(cc(cc3[o+]2)O)O)O |