Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(C)Cc1cc2c(c(O)c1C(=O)C)c(O)cc(OC)c2 |
SMILES_CANONICAL | CACTVS | 3.341 | COc1cc(O)c2c(O)c(C(C)=O)c(CC(C)=O)cc2c1 |
SMILES | CACTVS | 3.341 | COc1cc(O)c2c(O)c(C(C)=O)c(CC(C)=O)cc2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)Cc1cc2cc(cc(c2c(c1C(=O)C)O)O)OC |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)Cc1cc2cc(cc(c2c(c1C(=O)C)O)O)OC |
InChI | InChI | 1.03 | InChI=1S/C16H16O5/c1-8(17)4-10-5-11-6-12(21-3)7-13(19)15(11)16(20)14(10)9(2)18/h5-7,19-20H,4H2,1-3H3 |
InChIKey | InChI | 1.03 | BONGITCDOWZART-UHFFFAOYSA-N |