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2-[(3,5-dimethyl-4-oxidanyl-phenyl)methylsulfanyl]icosanoic acid

2-[(3,5-dimethyl-4-oxidanyl-phenyl)methylsulfanyl]icosanoic acid

Systemtic Name:2-[(3,5-dimethyl-4-oxidanyl-phenyl)methylsulfanyl]icosanoic acid
Openeye Name:2-[(4-hydroxy-3,5-dimethyl-phenyl)methylsulfanyl]icosanoic acid
CAS Name:2-[(4-hydroxy-3,5-dimethylphenyl)methylthio]eicosanoic acid
IUPAC Name:2-[(4-hydroxy-3,5-dimethylphenyl)methylsulfanyl]icosanoic acid
Traditional Name:2-[(4-hydroxy-3,5-dimethyl-benzyl)thio]arachidic acid
Formula: C29H50O3S
MolecularWeight: 478.7705
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C(=O)O)SCC1=CC(=C(C(=C1)C)O)C


Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C(=O)O)SCC1=CC(=C(C(=C1)C)O)C


InChI

InChI=1S/C29H50O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(29(31)32)33-23-26-21-24(2)28(30)25(3)22-26/h21-22,27,30H,4-20,23H2,1-3H3,(H,31,32)


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