2-[2-methyl-4-[(5-methyl-2-pentyl-phenyl)methylsulfanyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-methyl-4-[(5-methyl-2-pentyl-phenyl)methylsulfanyl]phenoxy]ethanoic acid Openeye Name: 2-[2-methyl-4-[(5-methyl-2-pentyl-phenyl)methylsulfanyl]phenoxy]acetic acid CAS Name: 2-[2-methyl-4-[(5-methyl-2-pentylphenyl)methylthio]phenoxy]acetic acid IUPAC Name: 2-[2-methyl-4-[(5-methyl-2-pentylphenyl)methylsulfanyl]phenoxy]acetic acid Traditional Name: 2-[4-[(2-amyl-5-methyl-benzyl)thio]-2-methyl-phenoxy]acetic acid Formula: C22H28O3S MolecularWeight: 372.52092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(C=C1)C)CSC2=CC(=C(C=C2)OCC(=O)O)C

Isomeric SMILES

CCCCCC1=C(C=C(C=C1)C)CSC2=CC(=C(C=C2)OCC(=O)O)C

InChI

InChI=1S/C22H28O3S/c1-4-5-6-7-18-9-8-16(2)12-19(18)15-26-20-10-11-21(17(3)13-20)25-14-22(23)24/h8-13H,4-7,14-15H2,1-3H3,(H,23,24)