Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(C1=C(O)C=C(OC1=O)CCC\C=C\NC(=O)OC)\C(=C\C=C(/C)CCCC)C |
SMILES_CANONICAL | CACTVS | 3.341 | CCCC/C(C)=C/C=C(C)/C(=O)C1=C(O)C=C(CCC\C=C\NC(=O)OC)OC1=O |
SMILES | CACTVS | 3.341 | CCCCC(C)=CC=C(C)C(=O)C1=C(O)C=C(CCCC=CNC(=O)OC)OC1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCC/C(=C/C=C(\C)/C(=O)C1=C(C=C(OC1=O)CCC\C=C\NC(=O)OC)O)/C |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCC(=CC=C(C)C(=O)C1=C(C=C(OC1=O)CCCC=CNC(=O)OC)O)C |
InChI | InChI | 1.03 | InChI=1S/C23H31NO6/c1-5-6-10-16(2)12-13-17(3)21(26)20-19(25)15-18(30-22(20)27)11-8-7-9-14-24-23(28)29-4/h9,12-15,25H,5-8,10-11H2,1-4H3,(H,24,28)/b14-9+,16-12+,17-13+ |
InChIKey | InChI | 1.03 | QBIHIGNYQFSBGW-NOTXRLOZSA-N |