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

Systemtic Name: 2-[4-[(5-methyl-2-pentyl-phenyl)methylsulfanyl]phenoxy]propanoic acid Openeye Name: 2-[4-[(5-methyl-2-pentyl-phenyl)methylsulfanyl]phenoxy]propanoic acid CAS Name: 2-[4-[(5-methyl-2-pentylphenyl)methylthio]phenoxy]propanoic acid IUPAC Name: 2-[4-[(5-methyl-2-pentylphenyl)methylsulfanyl]phenoxy]propanoic acid Traditional Name: 2-[4-[(2-amyl-5-methyl-benzyl)thio]phenoxy]propionic 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)OC(C)C(=O)O

Isomeric SMILES

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

InChI

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