(E)-5-(oxan-2-yloxy)-3-oxidanyl-docos-13-enoate

Systemtic Name: (E)-5-(oxan-2-yloxy)-3-oxidanyl-docos-13-enoate Openeye Name: (E)-3-hydroxy-5-tetrahydropyran-2-yloxy-docos-13-enoate CAS Name: (E)-3-hydroxy-5-(2-oxanyloxy)-13-docosenoate IUPAC Name: (E)-3-hydroxy-5-(oxan-2-yloxy)docos-13-enoate Traditional Name: (E)-3-hydroxy-5-tetrahydropyran-2-yloxy-docos-13-enoate Formula: C27H49O5- MolecularWeight: 453.67496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(CC(CC(=O)[O-])O)OC1CCCCO1

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(CC(CC(=O)[O-])O)OC1CCCCO1

InChI

InChI=1S/C27H50O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25(22-24(28)23-26(29)30)32-27-20-17-18-21-31-27/h9-10,24-25,27-28H,2-8,11-23H2,1H3,(H,29,30)/p-1/b10-9+