Chemical Descriptors |
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Type | Program | Version | Descriptor |
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SMILES | ACDLabs | 10.04 | O=C(OC(COC(=O)CCCCCCCCCCC)CO)CCCCCCCC |
SMILES | CACTVS | 3.341 | CCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCC |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC |
Canonical SMILES | CACTVS | 3.341 | CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCC |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCC |
InChI | InChI | 1.03 | InChI=1S/C24H46O5/c1-3-5-7-9-11-12-13-15-16-18-23(26)28-21-22(20-25)29-24(27)19-17-14-10-8-6-4-2/h22,25H,3-21H2,1-2H3/t22-/m0/s1 |
InChIKey | InChI | 1.03 | MYFVXYUACRBWGD-QFIPXVFZSA-N |