Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OC(C)(C)C3Oc2cc1OC(=O)C(=Cc1cc2C3)C(/C=C)(C)C)C |
SMILES_CANONICAL | CACTVS | 3.370 | CC(=O)OC(C)(C)[C@@H]1Cc2cc3C=C(C(=O)Oc3cc2O1)C(C)(C)C=C |
SMILES | CACTVS | 3.370 | CC(=O)OC(C)(C)[CH]1Cc2cc3C=C(C(=O)Oc3cc2O1)C(C)(C)C=C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(=O)OC(C)(C)[C@@H]1Cc2cc3c(cc2O1)OC(=O)C(=C3)C(C)(C)C=C |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(=O)OC(C)(C)C1Cc2cc3c(cc2O1)OC(=O)C(=C3)C(C)(C)C=C |
InChI | InChI | 1.03 | InChI=1S/C21H24O5/c1-7-20(3,4)15-9-13-8-14-10-18(21(5,6)26-12(2)22)24-16(14)11-17(13)25-19(15)23/h7-9,11,18H,1,10H2,2-6H3/t18-/m0/s1 |
InChIKey | InChI | 1.03 | AWMHMGFGCLBSAY-SFHVURJKSA-N |