(E)-3-hexyl-6-(oxan-2-yloxy)-4-oxidanyl-heptadec-9-enoic acid

Systemtic Name: (E)-3-hexyl-6-(oxan-2-yloxy)-4-oxidanyl-heptadec-9-enoic acid Openeye Name: (E)-3-hexyl-4-hydroxy-6-tetrahydropyran-2-yloxy-heptadec-9-enoic acid CAS Name: (E)-3-hexyl-4-hydroxy-6-(2-oxanyloxy)-9-heptadecenoic acid IUPAC Name: (E)-3-hexyl-4-hydroxy-6-(oxan-2-yloxy)heptadec-9-enoic acid Traditional Name: (E)-3-hexyl-4-hydroxy-6-tetrahydropyran-2-yloxy-heptadec-9-enoic acid Formula: C28H52O5 MolecularWeight: 468.70948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC=CCCC(CC(C(CCCCCC)CC(=O)O)O)OC1CCCCO1

Isomeric SMILES

CCCCCCC/C=C/CCC(CC(C(CCCCCC)CC(=O)O)O)OC1CCCCO1

InChI

InChI=1S/C28H52O5/c1-3-5-7-9-10-11-12-13-15-19-25(33-28-20-16-17-21-32-28)23-26(29)24(22-27(30)31)18-14-8-6-4-2/h12-13,24-26,28-29H,3-11,14-23H2,1-2H3,(H,30,31)/b13-12+