Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(CCCCCCCCC(=O)OCC(OC(CCCCCCCCCCCCCCC)=O)C)CCCCCCCCC |
InChI | InChI | 1.03 | InChI=1S/C38H74O4/c1-4-6-8-10-12-14-16-18-19-20-22-23-25-27-29-31-33-37(39)41-35-36(3)42-38(40)34-32-30-28-26-24-21-17-15-13-11-9-7-5-2/h36H,4-35H2,1-3H3/t36-/m1/s1 |
InChIKey | InChI | 1.03 | AZEJVFRTMDKJQJ-PSXMRANNSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](C)OC(=O)CCCCCCCCCCCCCCC |
SMILES | CACTVS | 3.385 | CCCCCCCCCCCCCCCCCCC(=O)OC[CH](C)OC(=O)CCCCCCCCCCCCCCC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](C)OC(=O)CCCCCCCCCCCCCCC |
SMILES | OpenEye OEToolkits | 2.0.6 | CCCCCCCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCCCCCCCC |