Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(OC1C(O)C=CC1O)c3c2cc(OC)cc(c2ccc3O)C |
SMILES_CANONICAL | CACTVS | 3.341 | COc1cc(C)c2ccc(O)c(C(=O)O[C@H]3[C@H](O)C=C[C@@H]3O)c2c1 |
SMILES | CACTVS | 3.341 | COc1cc(C)c2ccc(O)c(C(=O)O[CH]3[CH](O)C=C[CH]3O)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc(cc2c1ccc(c2C(=O)OC3[C@H](C=C[C@H]3O)O)O)OC |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc(cc2c1ccc(c2C(=O)OC3C(C=CC3O)O)O)OC |
InChI | InChI | 1.03 | InChI=1S/C18H18O6/c1-9-7-10(23-2)8-12-11(9)3-4-13(19)16(12)18(22)24-17-14(20)5-6-15(17)21/h3-8,14-15,17,19-21H,1-2H3/t14-,15+,17+ |
InChIKey | InChI | 1.03 | XILHLKXLRFUQFI-QLPKVWCKSA-N |