(3,5-dimethyl-4-oxidanyl-phenyl)methylsulfanyl icosanoate

Systemtic Name: (3,5-dimethyl-4-oxidanyl-phenyl)methylsulfanyl icosanoate Openeye Name: (4-hydroxy-3,5-dimethyl-phenyl)methylsulfanyl icosanoate CAS Name: eicosanoic acid [(4-hydroxy-3,5-dimethylphenyl)methylthio] ester IUPAC Name: (4-hydroxy-3,5-dimethylphenyl)methylsulfanyl icosanoate Traditional Name: arachidic acid [(4-hydroxy-3,5-dimethyl-benzyl)thio] ester Formula: C29H50O3S MolecularWeight: 478.7705

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OSCC1=CC(=C(C(=C1)C)O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OSCC1=CC(=C(C(=C1)C)O)C

InChI

InChI=1S/C29H50O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28(30)32-33-24-27-22-25(2)29(31)26(3)23-27/h22-23,31H,4-21,24H2,1-3H3