(11E,14E)-2-(4-methylphenyl)sulfinyl-3-oxidanyl-icosa-11,14-dienoate

Systemtic Name: (11E,14E)-2-(4-methylphenyl)sulfinyl-3-oxidanyl-icosa-11,14-dienoate Openeye Name: (11E,14E)-3-hydroxy-2-(p-tolylsulfinyl)icosa-11,14-dienoate CAS Name: (11E,14E)-3-hydroxy-2-(4-methylphenyl)sulfinyleicosa-11,14-dienoate IUPAC Name: (11E,14E)-3-hydroxy-2-(4-methylphenyl)sulfinylicosa-11,14-dienoate Traditional Name: (11E,14E)-3-hydroxy-2-(p-tolylsulfinyl)eicosa-11,14-dienoate Formula: C27H41O4S- MolecularWeight: 461.67704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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