(13E,16E)-2-hexyl-5-(oxan-2-yloxy)-3-oxidanyl-docosa-13,16-dienoic acid

Systemtic Name: (13E,16E)-2-hexyl-5-(oxan-2-yloxy)-3-oxidanyl-docosa-13,16-dienoic acid Openeye Name: (13E,16E)-2-hexyl-3-hydroxy-5-tetrahydropyran-2-yloxy-docosa-13,16-dienoic acid CAS Name: (13E,16E)-2-hexyl-3-hydroxy-5-(2-oxanyloxy)docosa-13,16-dienoic acid IUPAC Name: (13E,16E)-2-hexyl-3-hydroxy-5-(oxan-2-yloxy)docosa-13,16-dienoic acid Traditional Name: (13E,16E)-2-hexyl-3-hydroxy-5-tetrahydropyran-2-yloxy-docosa-13,16-dienoic acid Formula: C33H60O5 MolecularWeight: 536.8265

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCC(C(CC(CCCCCCC/C=C/C/C=C/CCCCC)OC1CCCCO1)O)C(=O)O

InChI

InChI=1S/C33H60O5/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-24-29(38-32-26-22-23-27-37-32)28-31(34)30(33(35)36)25-21-8-6-4-2/h10-11,13-14,29-32,34H,3-9,12,15-28H2,1-2H3,(H,35,36)/b11-10+,14-13+