2-[4-[(4-tert-butylphenyl)methylsulfanyl]-2,5-dimethyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(4-tert-butylphenyl)methylsulfanyl]-2,5-dimethyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[(4-tert-butylphenyl)methylsulfanyl]-2,5-dimethyl-phenoxy]acetic acid CAS Name: 2-[4-[(4-tert-butylphenyl)methylthio]-2,5-dimethylphenoxy]acetic acid IUPAC Name: 2-[4-[(4-tert-butylphenyl)methylsulfanyl]-2,5-dimethylphenoxy]acetic acid Traditional Name: 2-[4-[(4-tert-butylbenzyl)thio]-2,5-dimethyl-phenoxy]acetic acid Formula: C21H26O3S MolecularWeight: 358.49434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1SCC2=CC=C(C=C2)C(C)(C)C)C)OCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1SCC2=CC=C(C=C2)C(C)(C)C)C)OCC(=O)O

InChI

InChI=1S/C21H26O3S/c1-14-11-19(15(2)10-18(14)24-12-20(22)23)25-13-16-6-8-17(9-7-16)21(3,4)5/h6-11H,12-13H2,1-5H3,(H,22,23)