Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O3c4cc(CC(C)C(Cc2cc1OCOc1cc2)C)ccc4OC3 |
InChI | InChI | 1.03 | InChI=1S/C20H22O4/c1-13(7-15-3-5-17-19(9-15)23-11-21-17)14(2)8-16-4-6-18-20(10-16)24-12-22-18/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3/t13-,14+ |
InChIKey | InChI | 1.03 | QEFJURUMSHPMTC-OKILXGFUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](Cc1ccc2OCOc2c1)[C@@H](C)Cc3ccc4OCOc4c3 |
SMILES | CACTVS | 3.385 | C[CH](Cc1ccc2OCOc2c1)[CH](C)Cc3ccc4OCOc4c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H](Cc1ccc2c(c1)OCO2)[C@@H](C)Cc3ccc4c(c3)OCO4 |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(Cc1ccc2c(c1)OCO2)C(C)Cc3ccc4c(c3)OCO4 |