(11E,14E)-2-(2-methylphenyl)sulfinyl-3-oxidanyl-icosa-11,14-dienoic acid

Systemtic Name: (11E,14E)-2-(2-methylphenyl)sulfinyl-3-oxidanyl-icosa-11,14-dienoic acid Openeye Name: (11E,14E)-3-hydroxy-2-(o-tolylsulfinyl)icosa-11,14-dienoic acid CAS Name: (11E,14E)-3-hydroxy-2-(2-methylphenyl)sulfinyleicosa-11,14-dienoic acid IUPAC Name: (11E,14E)-3-hydroxy-2-(2-methylphenyl)sulfinylicosa-11,14-dienoic acid Traditional Name: (11E,14E)-3-hydroxy-2-(o-tolylsulfinyl)eicosa-11,14-dienoic acid Formula: C27H42O4S MolecularWeight: 462.68498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(C(C(=O)O)S(=O)C1=CC=CC=C1C)O

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(C(C(=O)O)S(=O)C1=CC=CC=C1C)O

InChI

InChI=1S/C27H42O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24(28)26(27(29)30)32(31)25-22-19-18-20-23(25)2/h7-8,10-11,18-20,22,24,26,28H,3-6,9,12-17,21H2,1-2H3,(H,29,30)/b8-7+,11-10+