Chemical Descriptors |
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Type | Program | Version | Descriptor |
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SMILES | CACTVS | 3.385 | CC(=C[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)c2ccc(cc2)c3ccccc3 |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(=CC1C(C(C(C(O1)CO)O)O)O)c2ccc(cc2)c3ccccc3 |
Canonical SMILES | CACTVS | 3.385 | C\C(=C/[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)c2ccc(cc2)c3ccccc3 |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | C/C(=C\[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/c2ccc(cc2)c3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C21H24O5/c1-13(11-17-19(23)21(25)20(24)18(12-22)26-17)14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-11,17-25H,12H2,1H3/b13-11+/t17-,18-,19-,20-,21-/m1/s1 |
InChIKey | InChI | 1.03 | CZOUTUOSDBYBBC-OBPXZMPXSA-N |