(E)-2-(4-methylphenyl)sulfinyl-5-(oxan-2-yloxy)-3-oxidanyl-docos-13-enoic acid

Systemtic Name: (E)-2-(4-methylphenyl)sulfinyl-5-(oxan-2-yloxy)-3-oxidanyl-docos-13-enoic acid Openeye Name: (E)-3-hydroxy-2-(p-tolylsulfinyl)-5-tetrahydropyran-2-yloxy-docos-13-enoic acid CAS Name: (E)-3-hydroxy-2-(4-methylphenyl)sulfinyl-5-(2-oxanyloxy)-13-docosenoic acid IUPAC Name: (E)-3-hydroxy-2-(4-methylphenyl)sulfinyl-5-(oxan-2-yloxy)docos-13-enoic acid Traditional Name: (E)-3-hydroxy-2-(p-tolylsulfinyl)-5-tetrahydropyran-2-yloxy-docos-13-enoic acid Formula: C34H56O6S MolecularWeight: 592.86984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H56O6S/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/h10-11,22-25,29,31-33,35H,3-9,12-21,26-27H2,1-2H3,(H,36,37)/b11-10+