Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(N1CCOCC1)c3cc(C(=O)O)c(OCc2cccc(OCCCCCCCC)c2)cc3 |
InChI | InChI | 1.03 | InChI=1S/C26H35NO7S/c1-2-3-4-5-6-7-15-33-22-10-8-9-21(18-22)20-34-25-12-11-23(19-24(25)26(28)29)35(30,31)27-13-16-32-17-14-27/h8-12,18-19H,2-7,13-17,20H2,1H3,(H,28,29) |
InChIKey | InChI | 1.03 | CMGIINZLEYERNR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCCCCCCCOc1cccc(COc2ccc(cc2C(O)=O)[S](=O)(=O)N3CCOCC3)c1 |
SMILES | CACTVS | 3.370 | CCCCCCCCOc1cccc(COc2ccc(cc2C(O)=O)[S](=O)(=O)N3CCOCC3)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCCCCCCCOc1cccc(c1)COc2ccc(cc2C(=O)O)S(=O)(=O)N3CCOCC3 |
SMILES | OpenEye OEToolkits | 1.7.2 | CCCCCCCCOc1cccc(c1)COc2ccc(cc2C(=O)O)S(=O)(=O)N3CCOCC3 |