(13E,16E)-5-(oxan-2-yloxy)-3-oxidanyl-2-(phenylmethyl)docosa-13,16-dienoate

Systemtic Name: (13E,16E)-5-(oxan-2-yloxy)-3-oxidanyl-2-(phenylmethyl)docosa-13,16-dienoate Openeye Name: (13E,16E)-2-benzyl-3-hydroxy-5-tetrahydropyran-2-yloxy-docosa-13,16-dienoate CAS Name: (13E,16E)-3-hydroxy-5-(2-oxanyloxy)-2-(phenylmethyl)docosa-13,16-dienoate IUPAC Name: (13E,16E)-2-benzyl-3-hydroxy-5-(oxan-2-yloxy)docosa-13,16-dienoate Traditional Name: (13E,16E)-2-benzyl-3-hydroxy-5-tetrahydropyran-2-yloxy-docosa-13,16-dienoate Formula: C34H53O5- MolecularWeight: 541.78162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(CC(C(CC1=CC=CC=C1)C(=O)[O-])O)OC2CCCCO2

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(CC(C(CC1=CC=CC=C1)C(=O)[O-])O)OC2CCCCO2

InChI

InChI=1S/C34H54O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-30(39-33-25-20-21-26-38-33)28-32(35)31(34(36)37)27-29-22-17-16-18-23-29/h6-7,9-10,16-18,22-23,30-33,35H,2-5,8,11-15,19-21,24-28H2,1H3,(H,36,37)/p-1/b7-6+,10-9+