Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c1c3ccc(O)cc3sc1c2ccc(O)cc2)c4ccc(OC)cc4 |
SMILES_CANONICAL | CACTVS | 3.352 | COc1ccc(cc1)C(=O)c2c(sc3cc(O)ccc23)c4ccc(O)cc4 |
SMILES | CACTVS | 3.352 | COc1ccc(cc1)C(=O)c2c(sc3cc(O)ccc23)c4ccc(O)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | COc1ccc(cc1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)O)O |
SMILES | OpenEye OEToolkits | 1.6.1 | COc1ccc(cc1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)O)O |
InChI | InChI | 1.03 | InChI=1S/C22H16O4S/c1-26-17-9-4-13(5-10-17)21(25)20-18-11-8-16(24)12-19(18)27-22(20)14-2-6-15(23)7-3-14/h2-12,23-24H,1H3 |
InChIKey | InChI | 1.03 | PYIMIJKXPOXOFJ-UHFFFAOYSA-N |