PDB CCD ID: | 97C |
Number of entries in FURNA: | 2 |
Chemical formula: | C13 H26 O4 |
InChI: | InChI=1S/C13H26O4/c1-3-5-8-13(15)17-11-10-16-9-6-7-12(14)4-2/h12,14H,3-11H2,1-2H3/t12-/m1/s1 |
InChIKey: | YLPZLGOYSCHQFQ-GFCCVEGCSA-N |
SMILES: | CCCCC(=O)OCCOCCC[C@@H](CC)O; CCCCC(=O)OCCOCCC[C@H](O)CC; O=C(OCCOCCCC(O)CC)CCCC; CCCCC(=O)OCCOCCCC(CC)O; CCCCC(=O)OCCOCCC[CH](O)CC |
Name: | 2-{[(4R)-4-hydroxyhexyl]oxy}ethyl pentanoate |