(13E,16E)-2-(4-methylphenyl)sulfinyl-5-(oxan-2-yloxy)-3-oxidanyl-docosa-13,16-dienoic acid

Systemtic Name: (13E,16E)-2-(4-methylphenyl)sulfinyl-5-(oxan-2-yloxy)-3-oxidanyl-docosa-13,16-dienoic acid Openeye Name: (13E,16E)-3-hydroxy-2-(p-tolylsulfinyl)-5-tetrahydropyran-2-yloxy-docosa-13,16-dienoic acid CAS Name: (13E,16E)-3-hydroxy-2-(4-methylphenyl)sulfinyl-5-(2-oxanyloxy)docosa-13,16-dienoic acid IUPAC Name: (13E,16E)-3-hydroxy-2-(4-methylphenyl)sulfinyl-5-(oxan-2-yloxy)docosa-13,16-dienoic acid Traditional Name: (13E,16E)-3-hydroxy-2-(p-tolylsulfinyl)-5-tetrahydropyran-2-yloxy-docosa-13,16-dienoic acid Formula: C34H54O6S MolecularWeight: 590.85396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(CC(C(C(=O)O)S(=O)C1=CC=C(C=C1)C)O)OC2CCCCO2

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(CC(C(C(=O)O)S(=O)C1=CC=C(C=C1)C)O)OC2CCCCO2

InChI

InChI=1S/C34H54O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29(40-32-21-18-19-26-39-32)27-31(35)33(34(36)37)41(38)30-24-22-28(2)23-25-30/h7-8,10-11,22-25,29,31-33,35H,3-6,9,12-21,26-27H2,1-2H3,(H,36,37)/b8-7+,11-10+